Krishnan Balasubramanian

Krishnan Balasubramanian

Emeritus Professor,
School of Molecular Sciences
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  • Phone: 480-382-6428
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  • PHYSICAL SCIENCES CENTER TEMPE, AZ 85287
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Long Bio
  • Prof. Balu’s Website
  • Two-Time Fulbright Research Award
  • Camille & Henry Dreyfus Teacher-Scholar
  •  Alfred P. Sloan Fellow
  • Award for Distinction in Graduate Teaching
  •  Joint Prize of Minister of Education, Poland
  • Birla Institute of Technology & Science Distinguished Alumnus Award 
  •  Phi Kappa Phi & Alpha Chi Sigma
  • 740 publications, 2 books
  • Robert S. Mulliken Lecturer 
  • Lawrence Livermore Distinguished Service Award
  •  Padmashri Gemini Ganesan Centennial Lecture 
  • Rev. Yeddanapalli Memorial Award
  •  Titular Member of International Academy of Mathematical Chemistry 
  • Elected Member EU Academy of Sciences.
  • G-Scholar Profile

Professor Balasubramanian’s areas of research are theoretical, computational & mathematical chemistry, mathematical & computational biology, actinide & superheavy element chemistry, relativistic chemistry, predictive toxicology, drug discovery, protein-protein interactions, computational nanochemistry, functionalized mesoporous materials, environmental actinide chemistry, chemical and biological applications of discrete mathematics, machine learning, and artificial intelligence. He is a two-time Fulbright Scholar, Camille and Henry Dreyfus Teacher-Scholar, Alfred P. Sloan Fellow, National Science Talent Scholar, and a recipient of Distinction award in Graduate Teaching, the Joint Prize of Minister of Education, Poland, Lawrence Livermore Distinguished Service Award,  Rev Fr. Yeddanapalli Memorial Award, and Birla Institute of Technology & Science Distinguished Alumnus Award. He is an elected member of International Academy of Mathematical Chemistry & EU Academy of Science. He was a Robert S. Mulliken Lecturer, Indian Institute of Technology Madras Extramural Lecturer and Rev Yeddanapalli memorial Lecturer and Padmashri Gemini Ganesan Centennial Lecture. He has over 740 Journal publications and two books.  He is a Distinguished Adjunct Professor at Birla Institute of Technology & Science, Pilani, India  and SRM University, India. 

https://sites.google.com/asu.edu/prof-krishnan-balasubramanian/bio

G-Scholar Profile

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Education
  • Postdoctoral Associate, University of California-Berkeley, Lawrence Berkeley Laboratory
  • Ph.D. Johns Hopkins University 
  • M.A. Johns Hopkins University 
  • M.Sc.(honors) with Distinction, Birla Institute of Technology and Science, India 
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Research Interests

Research Website

G-Scholar Profile

Professor Krishnan Balasubramanian's research spans a wide range of fields, including theoretical, computational, mathematical chemistry and artificial intelligence, as well as mathematical and computational biology. He integrates artificial intelligence into a number of chemical, biological and medical applications. Some of his specific research areas include:

  • Relativistic Quantum Chemistry & Spectroscopy: Investigating the electronic and spectroscopic properties of molecules containing very heavy elements, actinides, and superheavy elements (104-118) as well the 5g-row elements (121-138) of the periodic table  using a relativistic quantum approach.
  • Chemical Applications of Group Theory: Applying advanced group theory to characterize the symmetry of molecules, dynamic stereochemistry, and solve various chemical problems related to stereochemistry, quantum chemistry, dynamics of nonrigid molecules, and spectroscopy.
  • Chemical Applications of Graph Theory & Combinatorics to cages and molecular networks : Studying the applications of graph theory, combinatorics, and artificial intelligence in chemistry, including fullerene cages, large molecular networks such as metal organic networks, covalent organic networks, computer-simulated spectra, and dynamic stereochemistry.
  • Environmental Actinide Chemistry: Modeling actinide complexes at geological and biological interfaces to provide insights into actinide migration and speciation in natural groundwater.
  • Uranium Corrosion Modeling: Understanding the fundamental mechanisms at the molecular level that lead to the corrosion of uranium/plutonium and its alloys. This involves studying the chemical and physical processes that cause uranium to degrade in different environments, and in particular, the role of different impurities in causing the corrosion.

Professor  Balasubramanian has made significant contributions to the field of drug discovery. His research focuses on predictive toxicology, drug discovery, and protein-protein interactions. By leveraging computational and mathematical chemistry, he aims to identify potential drug candidates and understand their interactions at the molecular level. This approach helps in predicting the toxicity of compounds and designing safer and more effective drugs.

Contributions to Computer-aided Drug Discovery & Computational Toxicology:

  1. Predictive Toxicology: He uses computational models to predict the potential toxicity of new compounds, helping to identify safer drug candidates early in the drug development process.
  2. Protein-Protein Interactions: By studying how proteins interact with each other, his research aims to identify potential drug targets and understand the mechanisms of action of different drugs. This can lead to the development of more effective therapies.
  3. Molecular Docking and Quantum Computations: His team employs molecular docking techniques and quantum simulations to study the interactions between drugs and their target proteins at the molecular level. This helps in optimizing drug design and improving their efficacy.
  4. Drug Repurposing: Exploring existing drugs for new therapeutic uses is another area of interest. By analyzing the molecular mechanisms and interactions, his research can identify new applications for existing drugs, potentially speeding up the drug development process.

Professor Balasubramanian's interdisciplinary approach, combining chemistry, biology, and computational techniques, has made significant contributions to the field of drug discovery. His work continues to push the boundaries of our understanding of molecular interactions and their implications for drug development.

Contributions to the field of artificial intelligence (AI):

  1. Machine Learning: He uses machine learning techniques to analyze complex data sets and develop predictive models. This is particularly useful in fields like drug discovery, where machine learning can help identify potential drug candidates and predict their efficacy and toxicity.
  2. Computer-assisted structure Elucidation & Spectroscopy: He combines innovative combinatorial and AI methods to develop AI methods for structure elucidation, isomer enumeration and spectroscopic patterns of complex molecules and networks.
  3. Computational Chemistry: By integrating AI with computational chemistry, he aims to understand molecular interactions and design new materials with specific properties. This approach can accelerate the discovery of new compounds and materials.
  4. Predictive Toxicology: AI models are used to predict the toxicity of chemical compounds. 
  5. Protein-Protein Interactions: AI techniques are employed to study protein-protein interactions, which are crucial for understanding biological processes and developing new therapeutic strategies.
  6. Environmental Chemistry: AI is used to model and predict the behavior of environmental pollutants through QSAR modeling and hence  helping to develop strategies for mitigating their impact on the environment.

Professor Balasubramanian's research in AI is characterized by its interdisciplinary nature, combining chemistry, biology, and computational techniques to address complex scientific challenges. 

https://sites.google.com/asu.edu/prof-krishnan-balasubramanian/research-publications

 

Research Group

Research Website

G-Scholar Profile

Publications

Research Website

G-Scholar Profile

738. Balasubramanian, K. Vertex and Face Colorings of Dodecahedron and its distortions for all Irreducible Representations: Insights into Dynamic Chirality, Pentagonal, Jahn-Teller and elongated Distortions. Journal of Mathematical Chemistry, 2025, in press

737. Balasubramanian, K Combinatorics of Random Walks on Graphs and Walk-Entropies-Generalized Petersen and Isomerization Graphs. Journal of Mathematical Chemistry. 2025

736. Balasubramanian, K Spectral Polynomials and Spectra of graphs beyond cubic and Icosahedral symmetries: n-octahedra, n-cubes, symmetric and semi-symmetric graphs, Giant Fullerene cages and Generalized Petersen Graphs. Symmetry, 2025

735. Balasubramanian, K Matching Polynomials of Symmetric, Semisymmetric, Double Group Graphs, Polyacenes, Wheels, Fans, and symmetric solids in third and higher dimensions. Symmetry, 2025

734. Micheal Arockiaraj, J. Celin Fiona, S. Prabhu, S. Vijay, R. San Diego, Krishnan Balasubramanian,Topological, Graph-Spectral, Entropy Properties, NMRand ESR Spectral Patterns of Hydrogen-BondedNanosheets of Boric Acid, J. Cluster Sci. 2025,

733. Rakhi Yadav; Dhivya Antony; B.P.Anisha Aravind; Krishnan Balasubramanian; Mullai kodi R K , A Computational and Experimental reflection on Green-Synthesized CaO and Selenium-Doped CaO Nanoparticles: Spectral Analysis, Structural Insights, and Apoptotic Impacts, Chemistry Select 2025,

732. Kavin Jacob, Joseph Clement ,Micheal Arockiaraj, Pancras Peter, Krishnan Balasubramanian Network topology and entropy analysis of tetragonal farneseite zeolites, Nature, Scientific Reports 2025,

731. Balasubramanian, K. Enumeration of n-Dimensional Hypercubes, Icosahedra, Rubik's Cube Dice, Colorings, Chirality, and Encryptions Based on Their Symmetries. Symmetry 2024, 16, 1020. https://doi.org/10.3390/sym16081020

730. Arockiaraj, M.; Raza, Z.; Maaran, A.; Abraham, J.; Balasubramanian, K. Comparative analysis of scaled entropies and topological properties of triphenylene-based metal and covalent organic frameworks. Chemical Papers, 2024, 78(7), 4095�4118.

729. Balasubramanian, K. New Insights into Aromaticity through Novel Delta Polynomials and Delta Aromatic Indices. Symmetry 2024, 16, 391. https://doi.org/10.3390/sym16040391

728. Medha Itagi Huilgol, P.H. Shobha, Krishnan Balasubramanian, Novel topological reverse indices and entropies of armchair versus zigzag polyhex carbon nanotubes with spectroscopic applications,Computational and Theoretical Chemistry, 2024, 1242,114921, https://doi.org/10.1016/j.comptc.2024.114921.

727. Micheal Arockiaraj, J. Celin Fiona, Krishnan Balasubramanian, Degree based hybrid topological indices and entropies of hydrogen bonded benzo-trisimidazole frameworks, Journal of Molecular Structure,2024, 1314, 138740, https://doi.org/10.1016/j.molstruc.2024.138740.

726. Arockiaraj, M., Jency, J., Shalini, A.J. Balasubramanian, K. Degree-based topological insights and graph entropies of Kagome lattice covalent organic frameworks. Chem. Pap. (2024). https://doi.org/10.1007/s11696-024-03743-5

725. Arockiaraj, M., Fiona, J.C., Arokiya Doss, C.I. Balasubramanian, K. Mathematical techniques for graph descriptors, entropies, spectra, and properties of oxalate-based metal organic frameworks. Journal of Mathematical Chemistry, 2024, pp.1-29.

724. Prabhu, S., Arulperumjothi, M., Manimozhi, V. Balasubramanian, K. Topological characterizations on hexagonal and rectangular tessellations of antikekulenes and its computed spectral, nuclear magnetic resonance and electron spin resonance characterizations. International Journal of Quantum Chemistry, 2024, 124(7), p.e27365.

723. Arockiaraj, M., Fiona, J.C., Abraham, J., Klav�ar, S. Balasubramanian, K. Guanidinium and hydrogen carbonate rosette layers: distance and degree topological indices, Szeged-type indices, entropies, and NMR spectral patterns. Heliyon, 2024, 10(3).

722. Arockiaraj, M., Raza, Z., Fiona, J.C., Abraham, J., Shalini, A.J. Balasubramanian, K. Topological descriptors, entropy measures and NMR spectral predictions for nanoporous graphenes with [14] annulene pores. International Journal of Quantum Chemistry, 2024, 124(1), p.e27284.

721. Arockiaraj, M., Paul, D., Rahul, M.P., Clement, J., Tigga, S. Balasubramanian, K. Topological and Entropy Indices in Qspr Studies of N-Carbophene Covalent Organic Frameworks. BioNanoScience, 2024, 14(3), pp.2762-2773.

720. Patil, V.M., Gupta, S.P., Masand, N. Balasubramanian, K.. Experimental and computational models to understand protein-ligand, metal-ligand and metal-DNA interactions pertinent to targeted cancer and other therapies. European Journal of Medicinal Chemistry Reports, 2024, p.100133

719. Arockiaraj, M.; Jency, J.; Maaran, A.; Abraham, J.; Balasubramanian, K. Refined Degree Bond Partitions, Topological Indices, Graph Entropies and Machine-generated Boron NMR Spectral Patterns of Borophene Nanoribbons., J. Mol. Struc. September 1, 2023, 136524, https://www.sciencedirect.com/science/article/abs/pii/S0022286023016149

718. Balasubramanian, K. Matching Polynomial-Based Similarity Matrices and Descriptors for Isomers of Fullerenes. Inorganics 2023, 11, 335. https://doi.org/10.3390/inorganics11080335

717. Arockiaraj, M.; Paul, D.; Clement, J.; Tigga, S.; Jacob, K.; Balasubramanian, K. Novel molecular hybrid geometric-harmonic-Zagreb degree based descriptors and their efficacy in QSPR studies of polycyclic aromatic hydrocarbons SAR and QSAR in Environmental Research, 2023, 569-589. https://doi.org/10.1080/1062936X.2023.2239149

716. Rajan, P.; Balasubramanian, K. ; Chakraborty , T. DFT Investigation of Structural and Optoelectronic Properties of Glassy Chalcogenide CuXY2 (X= Sb, Bi; Y= S, Se, Te) Molecules. J. Phys. D: Appl. Phys. 2023, 56, 405306. https://iopscience.iop.org/article/10.1088/1361-6463/ace11c/meta

715. Huilgol, M. I.; Sriram, V.; Udupa, H. J.; Balasubramanian, K. Computational studies of toxicity and properties of b-diketones through topological indices and M/NM-polynomials. Computational and Theoretical Chemistry 2023, 1224, 114108.

714. Balasubramanian, K. Recursive Symmetries: Chemically Induced Combinatorics of Colorings of Hyperplanes of an 8-Cube for All Irreducible Representations. Symmetry 2023, 15, 1031. https://doi.org/10.3390/sym15051031

713. Arockiaraj, M.; Jency, J.; Mushtaq, S.; Shalini, A. J.; Balasubramanian, K. Covalent organic frameworks: topological characterizations, spectral patterns and graph entropies Journal of Mathematical Chemistry, 2023, 61, 1633-1664.

712. Balasubramanian, K. Characteristic polynomials, spectral-based Riemann-Zeta functions and entropy indices of n-dimensional hypercubes. Journal of Mathematical Chemistry, 2023, 61, 1570-1591.

711. Balasubramanian, K. ; Davidson, E. R. Rational approximations to pie: transcendental pi and Euler's Constant e Journal of Mathematical Chemistry, 2023, 61, 1471-1476.

710. Raza, Z.; Arockiaraj, M.; Maaran, A.; Kavitha,S. R. J.; Balasubramanian, K. Topological entropy characterization, NMR and ESR spectral patterns of coronene-based transition metal organic frameworks. ACS omega 2023, 8 (14), 13371-13383.

709. Govardhan, S.; Roy, S.; Balasubramanian, K.; Prabhu, S.Topological indices and entropies of triangular and rhomboidal tessellations of kekulenes with applications to NMR and ESR spectroscopies Journal of Mathematical Chemistry, 2023, 61, 1477-1490.

708. Balasubramanian, K. Topological indices, graph spectra, entropies, Laplacians, and matching polynomials of n-dimensional hypercubes. Symmetry 2023, 15 (2), 557 https://doi.org/10.3390/sym15020557

707. Balasubramanian, K.; VM Patil, V. M. QSAR into the New Millennium: Structural, Topological, Quantum, Shape, Electronic and Bio Descriptors for Machine Learning & AI-Honoring Prof. Satya Prakash Gupta Current Topics in Medicinal Chemistry, May 24, 2023 https://doi.org/10.2174/1568026623666230406102636

706. Balasubramanian, K. Combinatorial and quantum techniques for large data sets: hypercubes and halocarbons in Big Data Analytics in Chemoinformatics and Bioinformatics, Basak, S.C. ;Vračko, M. (Editors), Elsevier, Amsterdam, Netherlands, 2023, 187-218. ISBN: 978-0-323-85713-0 [PDF]

 

705.Jacob, K.; Clement, J.; Arockiaraj, M.; Paul, D.; Balasubramanian, K.Topological characterization and entropy measures of tetragonal zeolite merlinoites

Journal of Molecular Structure 2023,1277,134786 [PDF]

 

704.Gurunathan, S.;Yogalakshmi, T.; Balasubramanian, K. Topological characterization of statistically clustered networks for molecular similarity analysis Journal of Mathematical Chemistry, 2023, 61 (4), 859-876. 1-18. https://doi.org/10.1007/s10910-022-01438-4 [PDF]

 

703. Arockiaraj, M.; Fiona,J. C.; Kavitha, S.; Shalini, A. J.;Balasubramanian, K. Topological and Spectral Properties of Wavy Zigzag Nanoribbons Molecules 2023, 28 (1), 152 [PDF]

 

702.Paul, D.; Arockiaraj, M.; Tigga, S.; Balasubramanian, K. Zeolite AST: Relativistic degree and distance based topological descriptors. Computational and Theoretical Chemistry 2022, 1218, 113933. [PDF]

 

701.Balasubramanian, K. Relativistic versus Jahn-Teller effects in tantalum and tungsten clusters Inorganica Chimica Acta 2022,543,121194 [PDF]

 

700. Balasubramanian, K. Orthogonal polynomials through complex matrix graph theory. J Math Chem 2023, 61,144-165. https://doi.org/10.1007/s10910-022-01415-x [PDF]

 

699. Balasubramanian, K Density Functional and Graph Theory Computations of Vibrational, Electronic and Topological Properties of Porous Nanographenes.

Journal of Physical Organic Chemistry, 2022, e4435 [PDF]

 

698. Mushtaq, M.; Arockiaraj, M.; Fiona, J. C.; Jency, J.;Balasubramanian, K Topological properties, entropies, stabilities and spectra of armchair versus zigzag coronene-like nanoribbons, Molecular Physics 2022, 120 (17), e2108518 [PDF]

697. Arockiaraj, M.; Jency, J.; Abraham, J.; Ruth Julie Kavitha, S.; Balasubramanian, K Two-dimensional coronene fractal structures: topological entropy measures, energetics, NMR and ESR spectroscopic patterns and existence of isentropic structures. Molecular Physics, p.e2079568. 2022, [PDF]

696. Rahul, M.P.; Clement, J.; Junias, J. S.; Arockiaraj, M.; Balasubramanian, K. Degree-based entropies of graphene, graphyne and graphdiyne using Shannon's approach, Journal of Molecular Structure 2022,1260,132797[PDF]

695. Balasubramanian, K.; Carbo Dorca, R. Three Conjectures on Extended Twin Primes and the Existence of Isoboolean and Singular Primes Inspired by Relativistic Quantum Computing,� Journal of Mathematical Chemistry 2022, 60, 1571�1583. DOI: 10.13140/RG.2.2.22432.25600, [PDF]

694.Arockiaraj,M.; Mushtaq,S.; Klavzar,S.; Fiona,J.C.; Balasubramanian, K. Szeged-like Topological Indices and the Efficacy of the Cut Method: The Case of Melem Structures, Discrete Math. Lett. 2022,9,49-56 DOI: 10.47443/dml.2021.s209 [PDF]

693. Amrutha, P.; Bakkyaraj, T.; Balasubramanian, K.; T. Geetha, T. Decomposition of Induced Representations of Dihedral Groups (Dn) to Symmetric Groups (Sn): Applications to cyclic nanotubes, Gelfand States, Tableaus and Spectroscopy, J. Math. Chem. 2022, 60 (4), 733-751. DOI 10.1007/s10910-022-01325-y [PDF]

692. Antony, D.; Balasubramanian, K.; Yadav, R. Experimental and Computational Studies of Structures, Spectra and Bioactivities of Phytomediated Selenium-Supported CaO, CuO and ZnO Nanoparticles- Potential Drugs for Breast Cancer, J. Mol. Structure. 2022, 1263, 133113 [PDF]

691. Arockiaraj, M.; Kavitha, S. R. J..; Klavzar,S.; Fiaona, J. C.; Balasubramanian, Topological Characterization of Cycloparaphenylene Series, Polycyclic Aromatic Compounds. March 13, 2023, 1-23 . https://doi.org/10.1080/10406638.2023.2186442 [PDF]

690. Mushtaq, S.; Arockiaraj, M.; Klavzar,S.; Fiaona, J. C..; Balasubramanian, K.Comment on Mostar indices of SiO2 nanostructures and melem chain nanostructures, Int. J. Qunat. Chem. 2022, 122 (11), e26894 [PDF]

689. Arockiaraj, M.; Paul, D.; Klavzar,S.; Clement, J.; Tigga,S.; Balasubramanian, K. Relativistic distance based and bond additive topological descriptors of zeolite RHO materials, Journal of Molecular Structure, 2022, 1250, Part 2,131798:1-14. [PDF]

688. Abraham, J.; Arockiaraj, M.; Jency, J.; Kavitha, S. R.J.; Balasubramanian, Graph Entropies, Enumeration of Circuits, Walks and Topological Propertiesof Three Classes of Isoreticular Metal Organic Frameworks, J. Math. Chem. 2022, 60 (4), 695-732. DOI 10.1007/s10910-021-01321-8 [PDF]

687. Balasubramanian, K. Symmetry and Combinatorial Concepts for Cyclopolyarenes, Nanotubes and 2D-sheets: Enumerations: Isomers, Structures & Properties Symmetry 2022, 14 (1), 34[PDF]

686. Medha Itagi Huilgol, V. Sriram & Krishnan Balasubramanian (2021) Structure-activity relations for antiepileptic drugs through omega polynomials and topological indices, Molecular Physics, 2022,120 (3), e1987542:1-24�� [PDF]

685. Balasubramanian, K. Symmetry, Combinatorics, Artificial Intelligence, Music and Spectroscopy. Symmetry 2021, 13, 1850:1-44. [PDF]

684. Kavitha, S.R.J.; Abraham, J., Arockiaraj, M.; Jency, J.; Balasubramanian, K., 2021. Topological Characterization and Graph Entropies of Tessellations of Kekulene Structures: Existence of Isentropic Structures and Applications to Thermochemistry, Nuclear Magnetic Resonance, and Electron Spin Resonance. The Journal of Physical Chemistry A, 2021, 125(36), 8140-8158. [PDF]

683. Balasubramanian, K.; Ottorino, O.; Cataldo, F.; Putz, M. V. Combinatorics of chiral and stereo isomers of substituted nanotubes: applications of Eulerian character indices and comparison with bondonic formalism, Fullerenes, Nanotubes and Carbon Nanostructures, 2022, 30 (3) 315-333[PDF]

682. Balasubramanian, K. Combinatorial enumeration of stereo, chiral and position isomers of polysubstituted halocarbons: applications to machine learning of proton and 35Cl NMR spectroscopy of halocarbons. Theor Chem Acc 2021, 140, 58:1-26. [PDF]

681. Arockiaraj, M; Klavzar, S; Kavitha, SRJ; Mushtaq, S,; Balasubramanian, K. Relativistic structural characterization of molybdenum and tungsten disulfide materials. Int J Quantum Chem. 2021,121:e26492. [PDF]

680. Rajan, R.S., Shantrinal, A.A., Kumar, K.J.; Rajalaxmi, TM.; Rajasingh, I.; Balasubramanian, K. Biochemical and phylogenetic networks-II: X-trees and phylogenetic trees. J Math Chem 2021, 59, 699-718. [PDF]

679. Huilgol, M.I., Divya, B. & Balasubramanian, K. Distance degree vector and scalar sequences of corona and lexicographic products of graphs with applications to dynamic NMR and dynamics of nonrigid molecules and proteins. Theor Chem Acc 2021,140, 25:1-26. https://doi.org/10.1007/s00214-021-02719-y [PDF]

678. Rajan, R.S., Kumar, K.J., Shantrinal, A.A.; Rajalaxmi, TM.; Rajasingh, I.; Balasubramanian, K. Biochemical and phylogenetic networks-I: hypertrees and corona products. J Math Chem 2021, 59, 676-698. [PDF]https://doi.org/10.1007/s10910-020-01194-3

677. Balasubramanian K. Relativistic Quantum Chemical and Molecular Dynamics Techniques for Medicinal Chemistry of Bioinorganic Compounds. In: Saxena A.K. (eds) Biophysical and Computational Tools in Drug Discovery. Topics in Medicinal Chemistry, 2021, 37, 133-193. Springer, Cham. [PDF]

676. Huilgol, M. I.; Sriram, V.; & Balasubramanian, K. Tensor and Cartesian products for nanotori, nanotubes and zig-zag polyhex nanotubes and their applications to 13C NMR spectroscopy, Molecular Physics, 2021, 119:4, [PDF]

675. Balasubramanian, K. Combinatorial enumeration of relativistic states of actinide dimers. J Math Chem 2021,59, 315-363. [PDF]

674. Arockiaraj, M., Prabhu, S., Arulperumjothi, M. et al. Correction to: Topological characterization of hexagonal and rectangular tessellations of kekulenes as traps for toxic heavy metal ions. Theor Chem Acc 2021, 140, 112 [PDF]

673. Balasubramanian Krishnan, Combinatorics, Big Data, Neural Network & AI for Medicinal Chemistry & Drug Administration , Letters in Drug Design & Discovery 2021; 18(10)� [PDF]

672. Patil M. Vaishali , Narkhede R. Rohan,Masand Neeraj ,Cheke S. Rameshwar , Balasubramanian Krishnan, Molecular Insights into Resveratrol and Its Analogs as SARS-CoV-2 (COVID-19) Protease Inhibitors , Coronaviruses 2021; 2(11) : e130921189258. [PDF]

671. Arockiaraj, M., Prabhu, S., Arulperumjothi, M.; Kavitha, SRJ; Balasubramanian, K Topological characterization of hexagonal and rectangular tessellations of kekulenes as traps for toxic heavy metal ions. Theor Chem Acc 2021, 140, 43:1-24. [PDF]

670. Arockiaraj, M., Clement, J., Paul, D., Balasubramanian, K. Relativistic Distance Based Topological Descriptors of Linde Type A Zeolites and Their Doped Structures with Very Heavy Elements Moolecular Physics 2021, 119 (3), e1798529 DOI: 10.1080/00268976.2020.1798529� [PDF]

669. Balasubramanian, K.; Ori, O., Cataldo, F., Ashrafi, A. R. Face Colorings and Chiral Face Colorings of Icosahedral Giant Fullerenes: C80 to C240 , Fullerenes, Nanotubes and Carbon Nanostructures 2021, 29:1, 1-12, DOI: 10.1080/1536383X.2020.1794853. [PDF]

668. Arockiaraj, M., Clement, J., Paul, D., Balasubramanian, K. Quantitative Structural Descriptors of Sodalite Materials , J. Molecular Structure. 2021, 1223, 128766� [PDF]

667. Balasubramanian K. Computational and Artificial Intelligence Techniques for Drug Discovery & Administration In: Kenakin, T. (Ed.), Comprehensive Pharmacology. 2022, vol. 2, pp. 553�616. Elsevier. https://dx.doi.org/10.1016/B978-0-12-820472-6.00015-3.� [PDF].

666. Shaik, B., Zafar, T., Balasubramanian, K. and Gupta, S.P. An Overview of Ovarian Cancer: Molecular Processes Involved and Development of Target-based Chemotherapeutics. Current topics in medicinal chemistry, 2021, 21(4), 329-346. [PDF]

665. Arockiaraj M, Klavzar S, Mushtaq S, Balasubramanian K. Topological Characterization of the Full k-Subdivision of a Family of Partial Cubes and Their Applications to α-Types of Novel Graphyne and Graphdiyne Materials. Polycyclic Aromatic Compounds. 2021, 41:9, 1902-1924. [PDF]

664. Nandini, G.K.; Rajan, R.S.; Shantrinal, A.A.; Rajalaxmi, T.M.; Rajasingh, I.; Balasubramanian, K. Topological and Thermodynamic Entropy Measures for COVID-19 Pandemic through Graph Theory. Symmetry 2020, 12, 1992. [PDF]

663. Balasubramanian, K. Combinatorics of Supergiant Fullerenes: Enumeration of Polysubstituted Isomers, Chirality, Nuclear Magnetic Resonance, Electron Spin Resonance Patterns, and Vibrational Modes from C70 to C150000. The Journal of Physical Chemistry A, 2020, 124(49), 10359-10383. [PDF]

662. Arockiaraj M, Kavitha SR, Mushtaq S, Balasubramanian K. Relativistic topological molecular descriptors of metal trihalides. Journal of Molecular Structure. 2020, 1217,128368. [PDF]

661. Balasubramanian, K. Combinatorics of Edge Symmetry: Chiral and Achiral Edge Colorings of Icosahedral Giant Fullerenes: C80, C180, and C240 Symmetry 2020, 12, 1308. [PDF]

660. Balasubramanian, K Nonrigid water octamer: Computations with the 8-cube. J Comput Chem. 2020; 41: 2469- 2484.� [PDF] https://doi.org/10.1002/jcc.26402

659. Balasubramanian, Krishnan. Enumeration of stereo, position and chiral isomers of polysubstituted giant fullerenes: applications to C180 and C240. Fullerenes, Nanotubes and Carbon Nanostructures, 2020, 28:9, 687-696 [PDF]

658. Balasubramanian K. Topological Peripheral Shapes and Distance-based Characterization of Fullerenes C20-C720: Existence of isoperipheral Fullerenes Polycyclic Aromatic Compounds. 2020 DOI: 10.1080/10406638.2020.1802303 [PDF]

657. Arockiaraj M, Clement J, Tratnik N, Mushtaq S, Balasubramanian K. Weighted Mostar indices as measures of molecular peripheral shapes with applications to graphene, graphyne and graphdiyne nanoribbons. SAR and QSAR in Environmental Research. 2020 Mar 3;31(3):187-208. [PDF]

656. Arockiaraj, M., Clement, J. and Balasubramanian, K., 2020. Topological Properties of Carbon Nanocones. Polycyclic Aromatic Compounds, 2020, 40(5),1332-1346. [PDF]

655. Balasubramanian K.TopoChemie-2020 A Fortran 95 Package 95 (Software), A Computational Package for Computing Topological Indices, Spectral Polynomials, Walks and Distance Degree Sequences and Combinatorial Generators.

654. Balasubramanian K. Computations of Colorings 7D‐Hypercubes Hyperplanes for All Irreducible Representations. Journal of Computational Chemistry. 2020, 41(7):653-86. [PDF]

653. Arockiaraj, M., Ruth Julie Kavitha, S., Balasubramanian, K., Rajasingh, I. and Clement, J., 2020. Topological Characterization of Coronoid Polycyclic Aromatic Hydrocarbons. Polycyclic Aromatic Compounds, 2020, 40(3), 784-802. [PDF]

652. Balasubramanian K. Enumeration of relativistic states for superheavy and transactinide dimers in the periodic table. Journal of Mathematical Chemistry. 2020,58(2):458-96. [PDF]

651. Balasubramanian K. Computational combinatorics of hyperplane colorings of 6D-hypercube for all irreducible representations and applications. Journal of Mathematical Chemistry. 2020 Jan 1;58(1):204-72. [PDF]

650. Arockiaraj M, Klavzar S, Mushtaq S, Balasubramanian K. Topological indices of the subdivision of a family of partial cubes and computation of SiO2 related structures. Journal of Mathematical Chemistry 2019, 57(7):1868-83. [PDF]

649. Arockiaraj, M., Klavzar, S., Mushtaq, S. Balasubramanian, K. Distance-based topological indices of nanosheets, nanotubes and nanotori of SiO2. Journal of Mathematical Chemistry 2019, 57, 343-369. [PDF]

648. Arockiaraj M, Klavzar S, Clement J, Mushtaq S, Balasubramanian K. Edge Distance‐based Topological Indices of Strength‐weighted Graphs and their Application to Coronoid Systems, Carbon Nanocones and SiO2 Nanostructures. Molecular informatics. 2019, 38(11-12):1900039 [PDF]

647. Balasubramanian K, Gupta S.P. Quantum Molecular Dynamics, Topological, Group Theoretical and Graph Theoretical Studies of Protein-Protein Interactions. Current topics in medicinal chemistry 2019, 19(6):426-43. [PDF]

646. Balasubramanian K. Computational multinomial combinatorics for colorings of 5D-hypercubes for all irreducible representations and applications. Journal of Mathematical Chemistry 2019, 57(2):655-89. [PDF]

645. Patil VM, Balasubramanian K, Masand N. Dengue Virus Polymerase: A Crucial Target for Antiviral Drug Discovery. Viral Polymerases Structures, Functions and Roles as Antiviral Drug Targets 2019 Jan 1 (pp. 387-428). Academic Press. [PDF]

644. Gupta SP, Balasubramanian K. Studies on HIV-1 Polymerase and Its Inhibitors. Viral Polymerases Structures, Functions and Roles as Antiviral Drug Targets 2019 Jan 1 (pp. 155-179). Academic Press. [PDF]

643. Balasubramanian K. Computational enumeration of colorings of hyperplanes of hypercubes for all irreducible representations and applications. J. Math. Sci. Model. 2018;1:158-80. [PDF]

642. Balasubramanian K. Mathematical and computational techniques for drug discovery: promises and developments. Current topics in medicinal chemistry. 2018, 18(32):2774-99. [PDF]

641. Balasubramanian K. Combinatorial multinomial generators for colorings of 4D-hypercubes and their applications. Journal of Mathematical Chemistry. 2018;56(9):2707-23. [PDF]

640. Balasubramanian K. Combinatorial Enumeration of Isomers of Superaromatic Polysubstituted Cycloarenes and Coronoid Hydrocarbons with Applications to NMR. The Journal of Physical Chemistry A. 2018 Sep 20;122(41):8243-57. [PDF]

639. Balasubramanian K. Relativity and the Jahn-Teller, Berry pseudorotations of TBP clusters: group theory, spin-orbit and combinatorial nuclear spin statistics of TBP Desargues-Levi isomerization graph. Journal of Mathematical Chemistry. 2018 Sep 1;56(8):2194-225. [PDF]

638. Arockiaraj M, Kavitha SR, Balasubramanian K, Gutman I. Hyper-Wiener and Wiener polarity indices of silicate and oxide frameworks. Journal of Mathematical Chemistry. 2018 May 1;56(5):1493-510. [PDF]

637. Balasubramanian K, Patil VM. Quantum molecular modeling of hepatitis C virus inhibition through non-structural protein 5B polymerase receptor binding of C5-arylidene rhodanines. Computational biology and chemistry. 2018 Apr 1;73:147-58. [PDF]

636. Balasubramanian K. Nested wreath groups and their applications to phylogeny in biology and Cayley trees in chemistry and physics. Journal of Mathematical Chemistry. 2017 Jan 1;55(1):195-222. [PDF]

635. Arockiaraj M, Clement J, Balasubramanian K. Topological indices and their applications to circumcised donut benzenoid systems, kekulenes and drugs. Polycyclic Aromatic Compounds. 2017 Dec 28:280-303. [PDF]

634. Arockiaraj M, Kavitha SR, Balasubramanian K, Liu JB. On certain topological indices of octahedral and icosahedral networks. IET Control Theory & Applications. 2017 Oct 17;12(2):215-20. [PDF]

633. Balasubramanian K. Quantum Chemical Insights into Metabolic Inhibition of Cytochrome P450 Enzymes: Piperine, Curcumin, and Metal Complexes of Curcumin: Promises and Bioavailability p40 in Advances in Studies on Enzyme Inhibitors as Drugs:, Edited by Gupta, S. P. Nova Science Publishers, Inc., Hauppauge, NY 2016 ISBN: 978-1-53610-505-6 �[PDF]

632. Arockiaraj M, Clement J, Balasubramanian K. Analytical expressions for topological properties of polycyclic benzenoid networks. Journal of Chemometrics. 2016 Nov;30(11) 682-97. [PDF]

631. Quadras J, Balasubramanian K, Christy KA. Analytical expressions for Wiener indices of n-circumscribed peri-condensed benzenoid graphs. Journal of mathematical chemistry. 2016 Mar 1;54(3):823-843. [PDF]

630. Arockiaraj M, Kavitha SR, Balasubramanian K. Vertex cut method for degree and distance-based topological indices and its applications to silicate networks. Journal of Mathematical Chemistry. 2016 Sep 1;54(8):1728-47.

629. Quadras J, Christy KA, Balasubramanian K, Nelson A, Mahizl AS. Szeged Indices of n-Circumscribed Peri-condensed Benzenoid Graphs. Journal of Computer and Mathematical Sciences. 2016 Sep;7(9):434-48. [PDF]

628. Balasubramanian K. Combinatorics of Petersen graph and its compositions for all irreducible representations for Jahn-Teller, non-rigid molecules and clusters. Journal of Mathematical Chemistry. 2016 Aug 1;54(7):1553-74. [PDF]

627. Balasubramanian K. Quantum chemical insights into Alzheimers disease: Curcumins chelation with Cu (II), Zn (II), and Pd (II) as a mechanism for its prevention. International Journal of Quantum Chemistry. 2016 Jul 15;116(14):1107-19. [PDF]

626. Balasubramanian K. Nuclear spin species, spin statistical weights and rovibronic tunnelling splittings of non-rigid water hexamer. Molecular Physics. 2016 Jun 17;114(12):1960-73. [PDF]

625. Balasubramanian K. Character tables of n-dimensional hyperoctahedral groups and their applications. Molecular Physics. 2016, 114(10):1619-33. [PDF]

624. Patil VM, Das S, Balasubramanian K. Quantum chemical and docking insights into bioavailability enhancement of curcumin by piperine in pepper. The Journal of Physical Chemistry A. 2016 May 26; 120(20):3643-53. [PDF]

623. Balasubramanian K, C Basak S. Metabolic electron attachment as a primary mechanism for toxicity potentials of halocarbons. Current computer-aided drug design. 2016, Mar 1;12(1):62-72. [PDF]

622. Balasubramanian, K. Combinatorial Multinomial Generators of Colorings of Hypercubes , Proceedings of International Conference on Mathematical Computer Engineering ICMCE 2015, 14-15 December, 2015, VIT University, Chennai, India. ID: ICMCE15_522

621. Jasintha Quadras, Krishnan Balasubramanian , K. Arputha Christy, S. Sarah Surya Edge-Wiener index of certain n-Circumscribed Peri-condensed Benzenoid Graphs , Proceedings of International Conference on Mathematical Computer Engineering ICMCE 2015, 14-15 December, 2015, VIT University, Chennai, India. ID: ICMCE15_506

620. Balasubramanian, Krishnan, Generalization of the Harary-Palmer power group theorem to all irreducible representations of object and color groups- color combinatorial group theory , Journal of Mathematical Chemistry 2014, 52, 703-728 [PDF]

619. Balasubramanian, K., In Electronic Structure of Transition Metal Clusters, Actinide Complexes and their Reactivities, Proceedings of 2012 Condense Phase & Interfacial Molecular Science Research Meeting, Bolger Conference Center Potomac MD, October 21-24, 2012; pp 9-12. [PDF]

618. Panchal, Swarnlata, Balasubramanian, Krishnan, Kulshestra, S. Computational Drug Designing , International Journal of Pharma and Bio Sciences 2012 July; 3(3): B 202 -208. [PDF]

617. Udayabhaskararao, Thumu; Sun, Yan; Goswami, Nirmal; Pal, Samir K.; Balasubramanian, K.; Pradeep, Thalappil, Ag7Au6: A 13-Atom Alloy Quantum Cluster , Angewandte Chemie-International Edition, 2012, 51, 2155-2159. [PDF]

616. Qiao, J., Tan, H., Qiu, Y. and Balasubramanian, K., 2011. Erratum: Investigation of a binuclear gallium complex with bipolar charge transporting capability for organic light-emitting diodes [J. Chem. Phys. 124, 024719 (2006)]. The Journal of Chemical Physics, 134(2), p.029901. [PDF]

615. Balasubramanian, K.; Siekhaus, W.; McLean, W. Computational Modeling of Uranium and Plutonium Hydriding-the role of Surface Oxide Layers, Oxycarbides, Carbides & Impurities (No. LLNL-CONF-499222). Lawrence Livermore National Lab.(LLNL), Livermore, CA. 2011 [PDF]

614. Li, Xiang; Zheng, Weijun; Buonaugurio, Angela; Buytendyk, Allyson; Bowen, Kit; Balasubramanian, Krishnan, Photoelectron spectroscopy of the molecular anions, ZrO-, HfO-, HfHO-, and HfO2H- , Journal of Chemical Physics, 2012, 136, 154306 [PDF]

613. Balasubramanian, K., In Electronic Structure of Transition Metal Clusters, Actinide Complexes and their Reactivities, Proceedings of 2011 Condense Phase & Interfacial Molecular Science Research Meeting, Arlie Conference Center VA, June 12-15, 2011; pp 35-38 [PDF]

612. Qiao, Juan; Tan, Hang; Qiu, Yong; Balasubramanian, K., Investigation of a binuclear gallium complex with bipolar charge transporting capability for organic light-emitting diodes (vol 124, 024719, 2006) , Journal of Chemical Physics, 2011, 134, 029901[PDF]

611. Parsons-Moss, T.; Schwaiger, L. K.; Hubaud, A.; Hu, Y. J.; Tuysuz, H.; Yang, P.; Balasubramanian, K.; Nitsche, H. Plutonium complexation by phosphonate-functionalized mesoporous silica , ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 2011, 241, 48-NUCL, 241st National Meeting and Exposition of the American-Chemical-Society (ACS)241st National Meeting and Exposition of the American-Chemical-Society (ACS) MAR 27-31, 2011MAR 27-31, 2011 Amer Chem Soc, Anaheim, CA WOS:000291982806306� [PDF]

610. Sun, Yan; Balasubramanian, K.; Rao, T. Udaya Bhaskara; Pradeep, T.; Thumu, First Principles Studies of Two Luminescent Molecular Quantum Clusters of Silver, Ag-7(H(2)MSA)(7) and Ag-8(H(2)MSA)(8), Based on Experimental Fluorescence Spectra , Journal of Physical Chemistry C 2011, 115,20380-20387 [PDF]

609. Balasubramanian K. Computational & mathematical concepts in arts and science. Learning Curve. 2010, (14):23-5. [PDF]

608. Swarnlata Panchal, Balasubramanian, K., Yadav, K. S.; Khublani, T. K. A Collaborative Research for Computational Drug Modeling and Computer-aided Drug Design for MDR-Tuberculosis Bacterium and XDR- Tuberculosis Bacterium , 2010, Jan 3, [PDF]

607. Simeon, Tomekia; Balasubramanian, Krishnan; Welch, Charles R. Theoretical Study of the Interactions of In+ and In3+ with Stone-Wales Defect Single-Walled Carbon Nanotubes Journal of Physical Chemistry Letters 2010, 1, 457-462. [PDF]

606. Schwaiger, Luna Kestrel; Parsons-Moss, Tashi; Hubaud, Aude; Tueysuez, Harun; Balasubramanian, Krishnan; Yang, Peidong; Nitsche, Heino, Actinide and lanthanide complexation by organically modified mesoporous silica , ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 239, 98-NUCL, MAR 21 2010, WOS:000208189303645�� [PDF]

605. Singh, D. M. David Jeba; Pradeep, T.; Thirumoorthy, Krishnan; Balasubramanian, Krishnan, Closed-Cage Tungsten Oxide Clusters in the Gas Phase , Journal of Physical Chemistry A 2010, 114, 5445-5452. http://pubs.acs.org/doi/abs/10.1021/jp911922a DOI: 10.1021/jp911922a� [PDF]

604. Balasubramanian, K., In Electronic Structure of Transition Metal Clusters, Actinide Complexes and their Reactivities, Proceedings of 2009 Condense Phase & Interfacial Molecular Science Research Meeting, Arlie Conference Center VA, Oct 18-21, 2009; 13-16 [PDF]

603. Balasubramanian, K. Computational Modeling of Actinide Complexes Pertinent to Environment. Bulletin of the American Physical Society, 2009, 54, T36-007. [PDF]

602. Balasubramanian K. Burning questions and their power to kindle a fire. Learning Curve. 2009, 12, 6-9. [PDF]

601. Cao, Z.; Balasubramanian, K.; Calvert, M. G.; Nitsche, H. Solvation Effects on Isomeric Preferences of Curium(III) Complexes with Multidentate phosphonopropionic Acid Ligands: CmH(2)PPA(2+) and CmHPPA(+) Complexes , Inorganic Chemistry, 2009, 48, 9700-9714. [PDF]

600. Cao, Zhiji; Balasubramanian, K. Theoretical studies of UO2(OH)(H2O)(n)(+), UO2(OH)(2)(H2O)(n), NpO2(OH)(H2O)(n), and PuO2(OH)(H2O)(n)(+) (n <= 21) complexes in aqueous solution , Journal of Chemical Physics, 2009, 131, 164504 [PDF]

599. Balasubramanian, K.; Cao, Zhiji, Spectroscopic Properties and Potential Energy Surfaces for Curium Hydrides: CmH2, CmH2+, CmH, and CmH+ ,Journal of Physical ChemistryA 2009, 113, 12512-12524. [PDF]

598. Balasubramanian, K.; Sikehaus, W. J.; McLean, II W. Uranium Hydriding: Mechanisms, Trends and Influence of Impurities , Uranium Compounds, Isotopes And Applications, Editor: Gerhardt H. Wolfe, Nova Science Publishers, New York, 2009; 2nd Quarter, p71-93 ISBN: 978-1-60692-573-7 [PDF]

597. Balasubramanian, Krishnan, Group theoretical treatment of Jahn-Teller versus spin-orbit effects on geometries, rovibronic levels and nuclear spin species of bismuth and antimony clusters , Molecular Physics, 2009, 107, 797-807. DOI: 10.1080/00268970802649591 [PDF]

596. Benavides-Garcia, Maria G.; Balasubramanian, Krishnan, Structural Insights into the Binding of Uranyl with Human Serum Protein Apotransferrin Structure and Spectra of Protein-Uranyl Interactions , ACS Chemical Research in Toxicology, 2009,22,1613-1621. [PDF]

595. Simeon, Tomekia; Balasubramanian, Krishnan; Leszczynski, Jerzy, New Insights into the Chemical and Electronic Properties of C(69)M [M = In(-), Tl(-), Sb(+), Bi(+)] Species , Journal of Physical Chemistry A. 2008, 112, 12179-12186. DOI:10.1021/jp804718s [PDF]

594. Cao, Zhiji; Balasubramanian, Krishnan, GEOMETRIES AND ENERGY SEPARATIONS OF ELECTRONIC STATES OF In3N, InN3, AND THEIR IONS , Journal of Theoretical & Computational Chemistry, 2008,7, 751-765. DOI: 10.1142/S0219633608004106� [PDF]

593. Balasubramanian, K., In Electronic Structure of Transition Metal Clusters, Actinide Complexes and their Reactivities, Proceedings of 2007 Condense Phase & Interfacial Molecular Science Research Meeting, Arlie Conference Center VA, Oct 21-24, 2007; pp 110-116� [PDF]

592. Balasubramanian, K.; Chaudhuri, Doyel, Computational modeling of environmental plutonyl mono-, di- and tricarbonate complexes with Ca counterions: Structures and spectra: Puo(2)(CO3)(2)(2-), PuO2(CO3)(2)Ca, and PuO2(CO3)(3)Ca-3 , Chemical Physics Letters 2008, 450,196-202. [PDF]

591. Balasubramanian, K.; Cao, Z. Theoretical studies on structures of neptunyl carbonates: NPO2(CO3)(m)(H2O)(n)(q-) (m=1-3, n=0-3) in aqueous solution , Inorganic Chemistry 2007,46, 10510-10519. [PDF]

590. Balasubramanian, K. Rovibronic symmetry and nuclear spin analysis of octanitrocubane , Chemical Physics Letters, 2007, 441, 29-38. DOI: 10.1016/j.cplett.2007.04.083 [PDF]

589. Suo, BB; Balasubramanian, K. Spectroscopic constants and potential energy curves of yttrium carbide (YC) , Journal of Chemical Physics, 2007, 126, 224305. [PDF]

588. Balasubramanian, K., In Computational Modeling of Actinide Complexes, AAAS and the Northwest Regional ACS Conference on Chemistry of Advanced Nuclear Systems, Boise , ID, June 16-21, 2007. [PDF]

587. Balasubramanian, K.; Felter, T. E.; Anklam, T.; Trelenberg, T. W.; McLean II, W., Atomistic level relativistic quantum modelling of plutonium hydrogen reaction. Journal of Alloys and Compounds 2007, 444, 447-452, DOI: 10.1016/j.jallcom.2006.11.068� [PDF]

586. Cao, Z.; Balasubramanian, K., Unusual geometries and spectroscopic properties of electronic states of In2N2. Chemical Physics Letters 2007, 439, 288-295. [PDF]

585. Chen, G. H.; Balasubramanian, K., Electronic states and stability of GeC2N radical. Chemical Physics Letters 2007, 438, (4-6), 162-168. [PDF]

584. Balasubramanian, K.; Cao, Z. J., Fluxional motions and internal rotational barriers of water molecules bound to UO22+, NpO2+, and PuO22+. Chemical Physics Letters 2007, 433, (4-6), 259-263. [PDF]

583. Balasubramanian, K., In Computational and Mathematical Concepts in Chemical, Biological and Drug Research, Proceedings of the First Indo-US Lecture Series, Jan 8, 2007; p 5. [PDF]

582. Balasubramanian, K., In Recent Applications of Combinatorics, graph Theory and Informatics to Chemistry and Biology, Proceedings of the The Fourteenth International Conference of the Forum for Interdisciplinary Mathematics: The International Conference on Computational, Mathematical and Statistical Methods (CMASM 2007) Indian Institute of Technology, Madras, Jan 6, 2007. [PDF]

581. Cao, Z. J.; Suo, B. B.; Balasubramanian, K., Electronic states and potential energy curves of InN2, In2N, and their ions. Chemical Physics Letters 2006, 432, (1-3), 50-56. [PDF]

580. Denis, P. A.; Balasubramanian, K., Spectroscopic constants and potential energy curves of gallium nitride (GaN) and ions: GaN+ and GaN. Chemical Physics Letters 2006, 423, (1-3), 247-253. [PDF]

579. Denis, P. A.; Balasubramanian, K., Electronic states and potential energy curves of molybdenum carbide and its ions. Journal of Chemical Physics 2006, 125, (2), 9. [PDF]

578. Balasubramanian K. Dynamic shaping of harmonics for simulating and active playing of multiple musical instruments in PC Advances in Modelling and Analysis B. 49: 39-52.

577. Denis, P. A.; Balasubramanian, K., Multireference configuration interaction study of the electronic states of ZrC. Journal of Chemical Physics 2006, 124, (17), 8. [PDF]

576. Qiao, J.; Tan, H.; Qiu, Y.; Balasubramanian, K., Investigation of a binuclear gallium complex with bipolar charge transporting capability for organic light-emitting diodes. Journal of Chemical Physics 2006, 124, (2), 7. [PDF]

575. Balasubramanian, K., Molecular orbital basis for yellow curry spice curcumins prevention of Alzheimers disease. Journal of Agricultural and Food Chemistry 2006, 54, (10), 3512-3520. [PDF]

574. Thakur, M.; Thakur, A.; Balasubramanian, K., QSAR and SAR studies on the reduction of some aromatic nitro compounds by xanthine oxidase. Journal of Chemical Information and Modeling 2006, 46, (1), 103-110. [PDF]

573. Prabhakar, Y. S.; Balasubramanian, K., A simple algorithm for unique representation of chemical structures - Cyclic/acyclic functionalized achiral molecules. Journal of Chemical Information and Modeling 2006, 46, (1), 52-56. [PDF]

572. Balasubramanian, K., Bryan Balazs and William McLean Relativistic Quantum Modeling of Uranium Hydriding-Trends in Impurities and actinide complexes. Chemtracts 2006, 19, 66-77. [PDF]

571. Balasubramanian, K.; Khokhani, K.; Basak, S. C. Complex graph matrix representations and characterizations of proteomic maps and chemically induced changes to proteomes. Journal of Proteome Research 2006, 5, (5), 1133-1142. [PDF]

570. Balasubramanian, K., In Electronic Structure of Transition Metal Clusters, Actinide Complexes and their Reactivities, Proceedings of 2006 Condense Phase & Interfacial Molecular Science Research Meeting, Arlie Conference Center VA, Oct 22-25, 2006; pp 38-41. [PDF]

569. Balasubramanian, K., Balazs, B., McLean II, W. In Relativistic atomistic-level Uranium and Plutonium Corrosion Modeling-Role of Impurities, Proceedings of the 27th Aging, Compatibility and Stockpile Stewardship Conference, Los Alamos National laboratory, NM, Sep 25-26 2006.

568. Balasubramanian, K., Relativistic Quantum Computations of Clusters. In Proceedings of the 46th Sanibel Symposium, St. Simons, GA, 2006. [PDF]

567. Balasubramanian, K., Felter, T. E.; Anklam, T.; Trelenberg, W.; McLean II, W. Atomistic Level Relativistic Quantum Modeling of Plutonium Hydriding. In Plutonium Science-Futures Conference, Pacific Grove CA, 2006. [PDF]

566. Balasubramanian, K., Mathematical Basis of Periodicity in Atomic and Molecular Spectroscopy. In Mathematics of the Periodic Table, Rouvray, D. H., R. B. King, Ed. Nova Science Publishers: New York, 2006; pp 189-216. [PDF]

565. Balasubramanian, K.; Electronic and spectroscopic properties of transiiton metal main group clusters and compounds, Abstracts of Papers of the American Chemical Society, 2005, 230, U2871-U2871.

564. Balasubramanian, K., In Graph Theory and High-level Quantum Models for Predictive Toxicology and Graph Algorithms for Proteomics, Proceedings of the 4th Indo-US workshop on Mathematical Chemistry, University of Pune, India, Jan 8-12, 2005, 2005; S. C. Basak, I. G., Ed. University of Pune, India, 2005; pp 21-22. [PDF]

563. Balasubramanian, K., In Relativity and Chemical Bonding: Chemistry of heavy to superheavy Elements, Proceedings of the 20th DUBROVNIK INTERNATIONAL COURSE & CONFERENCE MATH / CHEM / COMP 2005, Dubrovnik, June 20, 2005; Ante Graovac, A.; Pokri, B., Vickic-Topic, D., Eds. Dubrovnik, 2005. [PDF]

562. Lee, J. E.; Choi, W.; Odde, S.; Mhin, B. J.; Balasubramanian, K., Electron affinity and inversion distortion of dibenzo-p-dioxin. Chemical Physics Letters 2005, 410, (1-3), 142-146. [PDF]

561. Balasubramanian, K.; Sikehaus, W.; Balazs, B.; Mclean, II.,W. Computational Modeling of Uranium Corrosion and the role of Impurities 2005, (Fe, Cr, Al, C and Si) (No. UCRL-CONF-216838). Lawrence Livermore National Lab.(LLNL), Livermore, CA. [PDF]

560. Wang, C. S.; Balasubramanian, K., Electronic states and vibrational frequencies of the triatomic Ga2N, GaN2, and their cations and anions. Chemical Physics Letters 2005, 402, (4-6), 294-299. [PDF]

559. Balasubramanian, K., Electronic and spectroscopic properties of transition metal and main group clusters and compounds. Abstracts of Papers of the American Chemical Society2005, 230, U2871-U2871. [PDF]

558. Cao, Z. J.; Balasubramanian, K., Theoretical studies of UO22+(H2O)n, NpO22+(H2O)n, and PuO22+(H2O)n complexes (n=4-6) in aqueous solution and gas phase. Journal of Chemical Physics 2005, 123, (11), 12. [PDF]

557. Balasubramanian, K, Electronic and spectroscopic properties of transition metal and main group clusters and compounds , ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 230th National Meeting of the American-Chemical-Society, 2005, 0065-7727, 216-PHYS, Aug 28, 2005, WOS:000236797 [PDF]

556. Roszak, S.; Gee, R. H.; Balasubramanian, K.; Fried, L. E., New theoretical insight into the interactions and properties of formic acid: Development of a quantum-based pair potential for formic acid. Journal of Chemical Physics 2005, 123, (14), 10. [PDF]

555. Denis, P. A.; Balasubramanian, K., Theoretical characterization of the low-lying electronic states of NbC. Journal of Chemical Physics 2005, 123, (5), 9. [PDF]

554. Majumdar, D.; Balasubramanian, K., Theoretical studies on the electronic structures of UO2(CO3)22- and its metal salts: M2UO2(CO3)2 (M = Li+, and Na+). Molecular Physics2005, 103, (6-8), 931-938. [PDF]

553. Balasubramanian, K., Computational and Mathematical Approaches to Fullerenes and Proteomes. Lecture Series on Computer & Chemical science 2005, 4, 765-767. [PDF]

552. Balasubramanian, K., Relativistic Effects in the Chemistry of very Heavy and super heavy Molecules. Lecture Series on Computer & Chemical sciences 2005, 4, 759-764. [PDF]

551. Balasubramanian, K., Preface to Minisymposium on Mathematical and Computational Approaches to Structure, Dynamics and Biology. Lecture Series on Computer & Chemical science 2005, 4, 755-756. [PDF]

550. Balasubramanian, K., Cross Fertilization of Mathematical and Computational Chemistry. In First Meeting of the International Academy of Mathematical Chemistry-2005, Bulletin of the International Academy of Mathematical Chemistry: Dubrovnik, 2005; Vol. 1. [PDF]

549. Balasubramanian, K., In Electronic Strcture of Transition Metal Clusters, Actinide Complexes and their Reactivities, Proceedings of 2005 Condense Phase & Interfacial Molecular Science Research Meeting, Washington D. C. , October 23-26, 2005, 2005; Dept of Energy, Basic Energy Sciences, Chemical Sciences: Washington D. C. , 2005; pp 83-86. [PDF]

548. Balasubramanian, K., W. J. Siekhaus, B. Balazs, William McLean II In Uranium Corrosion Modeling-Role of C, Fe, cr and Al Impurities, 26th Compatibility, Aging and Stockpile Stewardship Conference, Aiken, SC, USA, April 26-28, 2005; Aiken, SC, USA, 2005; pp 1-6. [PDF]

547. Balasubramanian, K., Siekhaus, W. J.; Balazs, B.; McLean II, W., In Computational Modeling of Uranium Corrosion and the Role of Impurities, JOWOG 28 Main Meeting, neveda Site Office, 2005; pp 18-21. [PDF]

546. Basak, S. C.; Mills, D.; Mumtaz, M.; Balasubramanian, K., Use of Topological Indices in Predicting Arylhydrocarbon Receptor Binding Affinities of dibenzofurans: A Hierarchical Approach. In Computational Chemical Dynamics from Gas Phase to Condensed Phase, University of Minnesota, Poster Session: 2004; Vol. A14(ii), pp 8-9. [PDF]

545. Balasubramanian, K., Combinatorics of NMR and ESR spectroscopy of C60H36 isomers. Chemical Physics Letters 2004, 400, (1-3), 78-85. [PDF]

544. Chaudhuri, D.; Balasubramanian, K., Electronic structure and spectra of plutonyl complexes and their hydrated forms: PuO2CO3 and PuO2CO3.nH2O (n=1,2). Chemical Physics Letters 2004, 399, (1-3), 67-72. [PDF]

543. Balasubramanian, K., Group theory, nuclear spin statistics and tunneling splittings 1,3,5-triamino-2,4,6-trinitrobenzene. Chemical Physics Letters 2004, 398, (1-3), 15-21. [PDF]

542. Majumdar, D.; Balasubramanian, K., Theoretical studies on the nature of uranyl-silicate, uranyl-phosphate and uranyl-arsenate interactions in the model H2UO2SiO4 � 3H2O, HUO2PO4 � 3H2O, and HUO2AsO4 � 3H2O molecules. Chemical Physics Letters 2004, 397, (1-3), 26-33. [PDF]

541. Balasubramanian, K., Nuclear spin statistics of extended aromatic C48N12 azafullerene. Chemical Physics Letters 2004, 391, (1-3), 69-74. [PDF]

540. Balasubramanian, K., Group theoretical analysis of vibrational modes and rovibronic levels of extended aromatic C48N12 azafullerene. Chemical Physics Letters 2004, 391, (1-3), 64-68. [PDF]

539. Balasubramanian, K., Electronic structure of actinide complexes in the environment. Abstracts of Papers of the American Chemical Society 2004, 227, U82-U82. [PDF]

538. Majumdar, D.; Balasubramanian, K., Theoretical study of the electronic states of Nb4, Nb5 clusters and their anions (Nb4-, Nb5-). Journal of Chemical Physics 2004, 121, (9), 4014-4032. [PDF]

537. Balasubramanian, K., Relativistic double group spinor representations of nonrigid molecules. Journal of Chemical Physics 2004, 120, (12), 5524-5535. [PDF]

536. Zhao, C. Y.; Balasubramanian, K., Spectroscopic properties of novel aromatic metal clusters: M4Na (M=Al, Ga, In) and their cations and anions. Journal of Chemical Physics 2004,120, (22), 10501-10512. [PDF]

535. Guo, R.; Balasubramanian, K., Spectroscopic properties and potential energy curves of low-lying electronic states of RuC. Journal of Chemical Physics 2004, 120, (16), 7418-7425. [PDF]

534. Gee, R. H.; Roszak, S.; Balasubramanian, K.; Fried, L. E., Ab initio based force field and molecular dynamics simulations of crystalline TATB. Journal of Chemical Physics 2004,120, (15), 7059-7066. [PDF]

533. Balasubramanian, K., Nonrigid group theory, tunneling splittings, and nuclear spin statistics of water pentamer: (H2O)5. Journal of Physical Chemistry A 2004, 108, (26), 5527-5536. [PDF]

532. Lee, J. E.; Choi, W. Y.; Mhin, B. J.; Balasubramanian, K., Theoretical study on the reaction of OH radicals with polychlorinated dibenzo-p-dioxins. Journal of Physical Chemistry A2004, 108, (4), 607-614. [PDF]

531. Andrews, L.; Wang, X. F.; Manceron, L.; Balasubramanian, K., The gold dihydride molecule, AuH2: Calculations of structure, stability, and frequencies, and the infrared spectrum in solid hydrogen. Journal of Physical Chemistry A 2004, 108, (15), 2936-2940. [PDF]

530. Balasubramanian, K., Group representations and multinomial combinatorics of the icosahedral symmetry. Molecular Physics 2004, 102, (7), 659-679. [PDF]

529. Balasubramanian, K., Number Theory. Journal of Mathematical Chemistry, 2004, 36, 167. [PDF]

528. Balasubramanian, K, Electronic structure of actinide complexes in the environment. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 227th ACS National Meeting, 2004, 22 7, 48-NUCL, March 28-April 1, 2004, Annaheim CA. WOS:000223655700397� [PDF]

527. Balasubramanian, K., Multinomial combinatorial group representations of the octahedral and cubic symmetries. Journal of Mathematical Chemistry 2004, 35, (4), 345-365. [PDF]

526. Gute, B. D.; Balasubramanian, K.; Geiss, K. T.; Basak, S. C., Prediction of halocarbon toxicity from structure: a hierarchical QSAR approach. Environmental Toxicology and Pharmacology 2004, 16, (1-2), 121-129. [PDF]

525. Balasubramanian, K., In Quantum Chemistry & Graph Theory Based Methods for Predictive Computational Toxicology, In Vitro Screens in Drug Metabolism, Wyndham Palace, Lake Bunea Vista, Florida, December 13-14, 2004; Cambridge Health Institute: Wyndham Palace, Lake Bunea Vista, Florida, 2004. [PDF]

524. Balasubramanian, K., Electronic Strcture of Transition Metal Clusters, Actinide Complexes and their Reactivities. In Proceedings of 2004 Condense Phase & Interfacial Molecular Science Research Meeting, Dept of Energy, Basic Energy Sciences, Chemical Sciences: 2004; pp 111-115. [PDF]

523. Balasubramanian, K., Relativity and the Periodic Table. In Periodic Table into the 21st Century, Rouvray, D. H., R. B. King, Ed. Research Studies Press: Baldlock, England, 2004; pp 263-296. [PDF]

522. Balasubramanian, K.; Siekhaus, W.; McLean, W., Computational Modeling of Uranium Hydriding and complexes. In Plutionium Futures Science Conference, American Institute of Physics: 2003; Vol. C673, pp 125-127. [PDF]

521. Roszak, S.; Gee, R. H.; Balasubramanian, K.; Fried, L. E., Molecular interactions of TATB clusters. Chemical Physics Letters 2003, 374, (3-4), 286-296. [PDF]

520. Majumdar, D.; Roszak, S.; Balasubramanian, K.; Nitsche, H., Theoretical study of aqueous uranyl carbonate (UO2CO3) and its hydrated complexes: UO2CO3.nH2O (n = 1 - 3).Chemical Physics Letters 2003, 372, (1-2), 232-241. [PDF]

519. Wheaton, V.; Majumdar, D.; Balasubramanian, K.; Chauffe, L.; Allen, P. G., A comparative theoretical study of uranyl silicate complexes. Chemical Physics Letters 2003, 371, (3-4), 349-359. [PDF]

518. Balasubramanian, K.; Siekhaus, W. J.; McLean, W., Potential energy surfaces for the uranium hydriding reaction. Journal of Chemical Physics 2003, 119, (12), 5889-5900. [PDF]

517. Majumdar, D.; Balasubramanian, K., Theoretical study of the electronic states of niobium trimer (Nb3) and its anion (Nb3-). Journal of Chemical Physics 2003, 119, (24), 12866-12877. [PDF]

516. Guo, R.; Balasubramanian, K.; Schaefer, H. F., The treacherous potential energy hypersurface of AgSiO. Journal of Chemical Physics 2003, 118, (23), 10623-10630. [PDF]

515. Guo, R.; Balasubramanian, K., Theoretical study of the low-lying electronic states of ruthenium trimer (Ru3). Journal of Chemical Physics 2003, 118, (1), 142-148. [PDF]

514. Balasubramanian, K.; Siekhaus W. J.; McLean, II W, Computational Modeling of Uranium Hydriding and Complexes , AIP Conf. Proc. 2003, 673, 125. [PDF]

513. Majumdar, D.; Roszak, S.; Balasubramanian, K., Electronic structure and spectroscopic properties of electronic states of VC2, VC2-, and VC2+. Journal of Chemical Physics 2003,118, (1), 130-141. [PDF]

512. Majumdar, D.; Balasubramanian, K., A theoretical study of potential energy curves and spectroscopic constants of VC. Molecular Physics 2003, 101, (9), 1369-1376. [PDF]

511. Basak, S. C.; Balasubramanian, K.; Gute, B. D.; Mills, D.; Gorczynska, A.; Roszak, S., Prediction of cellular toxicity of halocarbons from computed chemodescriptors: A hierarchical QSAR approach. Journal of Chemical Information and Computer Sciences 2003, 43, (4), 1103-1109. [PDF]

510. Basak, S. C.; Mills, D.; Mumtaz, M. M.; Balasubramanian, K., Use of topological indices in predicting aryl hydrocarbon receptor binding potency of dibenzofurans: A hierarchical QSAR approach. Indian Journal of Chemistry Section a-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry 2003, 42, (6), 1385-1391. [PDF]

509. Balasubramanian, K., Quantum chemistry & graph theory based methods for predictive computational toxicology. In Third Indo-US Workshop on Mathematical Chemistry-With Applications to Drug Discovery, Environmental Toxicology, Cheminformatics and Bioinformatics, Duluth, Minnesota, USA, 2003. [PDF]

508. Balasubramanian, K., In Relativistic Quantum Chemsitry of Actinide and superheavy molecular Chemsitry, Third Transactinide Chemsitry03-TAN03, Napa CA, Nov 16-20, 2003, 2003; Napa CA, 2003. [PDF]

507. Balasubramanian, K, Relativistic computations of the electronic states of the superheavy element 114 and 114(+) (341, 601, 2001) , Chemical Physics Letters, 2002, 351, 161-62 [PDF]

506. Balasubramanian, K., Spectroscopic properties of Mo2- and Mo2+. Chemical Physics Letters 2002, 365, (5-6), 413-420. [PDF]

505. Majumdar, D.; Balasubramanian, K.; Nitsche, H., A comparative theoretical study of bonding in UO2, UO2+,UO2-, UO2+2 the UO2(CO3). Chemical Physics Letters 2002, 361, (1-2), 143-151. [PDF]

504. Balasubramanian, K., Electronic states of the superheavy element 113 and (113)H. Chemical Physics Letters 2002, 361, (5-6), 397-404. [PDF]

503. Balasubramanian, K., Relativistic computations of the electronic states of the superheavy element 114 and 114(+) (vol 341, pg 601, 2001). Chemical Physics Letters 2002, 351, (1-2), 161-162. [PDF]

502. Balasubramanian, K.; Zhu, X., Spectroscopic constants and potential energy curves of electronic states of Mo2 and Mo2+. Journal of Chemical Physics 2002, 117, (10), 4861-4870. [PDF]

501. Balasubramanian, K., Breakdown of the singlet and triplet nature of electronic states of the superheavy element 114 dihydride (114H2). Journal of Chemical Physics 2002, 117, (16), 7426-7432. [PDF]

500. Guo, R.; Balasubramanian, K.; Wang, X. F.; Andrews, L., Infrared vibronic absorption spectrum and spin-orbit calculations of the upper spin-orbit component of the Au3 ground state. Journal of Chemical Physics 2002, 117, (4), 1614-1620. [PDF]

499. Zhao, C. Y.; Balasubramanian, K., Geometries and spectroscopic properties of silicon clusters (Si5, Si5+, Si5-, Si6, Si6+, and Si6-). Journal of Chemical Physics 2002, 116, (9), 3690-3699. [PDF]

498. Balasubramanian, K., Potential energy surfaces of Lawrencium and Nobelium dihydrides (LrH2 and NoH2). Journal of Chemical Physics 2002, 116, (9), 3568-3575. [PDF]

497. Zhao, C. Y.; Balasubramanian, K., Spectroscopic properties of lead hexamer and its ions (Pb6 , Pb6+ and Pb6-). Journal of Chemical Physics 2002, 116, (23), 10287-10296. [PDF]

496. Roszak, S.; Majumdar, D.; Balasubramanian, K., Electronic structure and spectroscopic properties of electronic states of ScC3 and ScC3+. Journal of Chemical Physics 2002, 116, (23), 10238-10246. [PDF]

495. Balasubramanian, K., Combinatorial Enumeration of Ragas: scales of Integer Sequences of Indian Music. Journal of Integer Sequences 2002, 5, (A02.2.6), 21. [PDF]

494. Balasubramanian, K., In Relativsitic Computations of Transition Metal Clusters & Actinide Complexes, World Association of Theoretically oriented Chemists-WATOC-2002, Lugano, Switzerland, 6-9 August, 2002; Lugano, Switzerland, 2002. [PDF]

493. Balasubramanian, K., In High-Level Quantum Chemistry Methods for Mechanistically Based Predictive Toxicology, EPA-Conference on Risk Assessment, Cincinnati OH, 2002; Environmental Protection Agency: Cincinnati OH, 2002. .[PDF]

492. Balasubramanian, K., Relativistic computations of the electronic states of the superheavy element 114 and 114(+). Chemical Physics Letters 2001, 341, (5-6), 601-607. .[PDF]

491. Balasubramanian, K.; Zhu, X. L., Spectroscopic properties of mixed gallium arsenide tetramers: GaAs3 +/-, GaAs3, Ga3As +/-, and Ga3As. Journal of Chemical Physics 2001, 115, (19), 8858-8867. .[PDF]

490. Balasubramanian, K.; Majumdar, D., Spectroscopic Properties of Lead Trimer (Pb3 and Pb3+): Potential Energy Surfaces, Spin-Orbit and Jahn-Teller Effects. Journal of Chemical Physics 2001, 115, (19), 8795-8809. .[PDF]

489. Majumdar, D.; Balasubramanian, K., Theoretical study of the electronic states of small cationic niobium clusters, Nbn+ (n=3-5). Journal of Chemical Physics 2001, 115, (2), 885-898. [PDF]

488. Zhao, C. Y.; Balasubramanian, K., Geometries and spectroscopic properties of germanium and tin hexamers Ge6, Sn6, Ge6+, Sn6+, Ge6-, Sn6-. Journal of Chemical Physics 2001,115, (7), 3121-3133. .[PDF]

487. Balasubramanian, K.; Zhu, X. L., Spectroscopic constants and potential energy curves of Nb2, Nb2+, and Nb2-. Journal of Chemical Physics 2001, 114, (23), 10375-10388. [PDF]

486. Majumdar, D.; Roszak, S.; Balasubramanian, K., Interaction of benzene (Bz) with with Pt and Pt2 A theoretical study of Benzene with Bz-Pt2 Bz2-Pt and Bz2-Pt2 species. Journal of Chemical Physics 2001, 114, (23), 10300-10310. .[PDF]

485. Balasubramanian, K.; Feng, P. Y. Electronic states of Al3P2, Al3P2-, Al3P2+, Al2P3, Al2P3-, and Al2P3+. Journal of Physical Chemistry A 2001, 105, (50), 11295-11303.[PDF]

484. Balasubramanian, K. Linear variational Diophantine techniques in mass balance of chemical reactions. Journal of Mathematical Chemistry 2001, 30, (2), 219-225. [PDF]

483. Roszak, S.; Koski, W. S.; Kaufman, J. J.; Balasubramanian, K. Structures and electron attachment properties of halomethanes (CXnYm, X=H-F; Y=Cl, Br, I; n=0,4; m=4-n). SAR and QSAR in Environmental Research 2001, 11, (5-6), 383-396. [PDF]

482. Balasubramanian, K. In Relativistic Computations of Clusters of Transition Metal and Superheavy elements, Molecular Quantum Mechanics: The Right Answer for the Right Reason-International Conference in honor of Professor Ernest R. Davidson, Seattle, Washington, July 21-26, 2001; Seattle, Washington, 2001. [PDF]

481. Balasubramanian, K., In Integration of Quantum Chemistry and Graph Theory for Structure Activity Relations and Predictive Toxicology., 2001 Society for Risk Analysis Annual Meeting: Risk Analysis in an Interconnected World Seattle, WA, December 2-5, 2001; Seattle, WA, 2001. [PDF]

480. Balasubramanian, K., In Workshop Report to the Chemical Sciences Roundtable, Carbon Management: Implications for R & D in the Chemical Sciences and Technology, Washington, D. C. , 2001; Commission on Physical Sciences, Mathematics, and Applications, National Academies Press: Washington, D. C. , 2001; 224. [PDF]

479. Feng, P. Y.; Balasubramanian, K., Potential energy surfaces of electronic states of AlP2, Al2P and their ions. Chemical Physics Letters 2000, 318, (4-5), 417-426. [PDF]

478. Majumdar, D.; Dai, D. G.; Balasubramanian, K., Theoretical study of electronic states of platinum pentamer (Pt5). Journal of Chemical Physics 2000, 113, (18), 7928-7938. [PDF]

477. Majumdar, D.; Dai, D. G.; Balasubramanian, K., Theoretical study of the electronic states of platinum trimer (Pt3). Journal of Chemical Physics 2000, 113, (18), 7919-7927. [PDF]

476. Balasubramanian, K., Spectroscopic constants and potential energy curves of tungsten carbide. Journal of Chemical Physics 2000, 112, (17), 7425-7436. [PDF]

475. Dai, D. G.; Roszak, S.; Balasubramanian, K., Electronic structures of niobium carbides: NbCn (n=3-8). Journal of Physical Chemistry A 2000, 104, (43), 9760-9769. [PDF]

474. Balasubramanian, K., Spectroscopic constants for GaAs2, GaAs2-, Ga2As, Ga2As-. Journal of Physical Chemistry A 2000, 104, (10), 1969-1973. [PDF]

473. Dai, D. G.; Roszak, S.; Balasubramanian, K., Electronic states and potential energy surfaces of NbC2. Journal of Physical Chemistry A 2000, 104, (24), 5861-5866. [PDF]

472. Feng, P. Y.; Dai, D. G.; Balasubramanian, K., Electronic states of Al3As2, Al3As2-, Al3As2+, Al2As3, Al2As3-, and Al2As3+. Journal of Physical Chemistry A 2000, 104, (2), 422-432. [PDF]

471. Dai, D. G.; Balasubramanian, K., Electronic states and potential energy surfaces of WC2. Journal of Physical Chemistry A 2000, 104, (6), 1325-1331. [PDF]

470. Basak, S. C.; Grunwald, G. D.; Gute, B. D.; Balasubramanian, K.; Opitz, D., Use of statistical and neural net approaches in predicting toxicity of chemicals. Journal of Chemical Information and Computer Sciences 2000, 40, (4), 885-890. [PDF]

469. Tan, H.; Liao, M. Z.; Wang, Y.; Wu, G. S.; Balasubramanian, K., A flexible correlation group table (CGT) method for the relativistic configuration interaction wavefunctions.Journal of Mathematical Chemistry 2000, 28, (1-3), 213-239. [PDF]

468. Balasubramanian, K., Combining graph theory and quantum chemistry for predicting property/activity/toxicity. In Second Indo-US workshop on Mathematical Chemistry-With Applications to Drug Discovery, Environmental Toxicology, Cheminformatics and Bioinformatics, Duluth, Minnesota, USA, 2000. [PDF]

467. Balasubramanian, K., In Relativistic Effects in Chemistry, Pitzer Memorial Symposium In Theoretical Chemistry in honor of Professor Kenneth S. Pitzer, Berkeley, CA, January 9-13, 2000; University of California, Berkeley Berkeley, CA, 2000. [PDF]

466. Balasubramanian, K., In Recent Applications of Graph Theory and Combinatorics to Fullerene Cages and Clusters, 2000 International Chemical Congress of Pacific Basin Societies, Honolulu, Hawaii, Dec 14-19, 2000; Pacific Chemical Society and American Chemical Society: Honolulu, Hawaii, 2000; pp PHYS-870. [PDF]

465. Basak, S. C.; Opitz, D. W.; Balasubramanian, K.; Gute, B. D.; Grunwald, G. D., In Use of statistical and neural net methods in predicting toxicity of chemicals: A hierarchical QSAR approach Predictive Toxicology of Chemicals: Experiences and Impact of Artificial Intelligence Tools - Papers from the 1999 AAAI Symposium, Stanford, CA, March 22-24, 1999, 1999; AAAI Press: Menlo Park, CA: Stanford, CA, 1999; pp 108-111. [PDF]

464. Dai, D. G.; Balasubramanian, K., Geometries and energy separations of electronic states of Pd5. Chemical Physics Letters 1999, 310, (3-4), 303-312. [PDF]

463. Dai, D. G.; Roszak, S.; Balasubramanian, K., Electronic states of the hafnium trimer (Hf3). Chemical Physics Letters 1999, 308, (5-6), 495-502. [PDF]

462. Feng, P. Y.; Balasubramanian, K., Electronic states of Al3P and AlP3 and their positive ions. Chemical Physics Letters 1999, 301, (5-6), 458-466. [PDF]

461. Feng, P. Y.; Balasubramanian, K., Spectroscopic properties of Al2P2, Al2P2+, and Al2P2- and comparison with their Ga and In analogues. Journal of Physical Chemistry A 1999,103, (45), 9093-9099. [PDF]

460. Tan, H.; Liao, M. Z.; Dai, D. G.; Balasubramanian, K., Potential energy surfaces for Tc plus CO, Re plus CO, and Ta plus CO and periodic trends of the second- and third-row transition metals interaction with CO. Journal of Physical Chemistry A 1999, 103, (18), 3495-3504. [PDF]

459. Balasubramanian, K.; Latifzadeh-Masoudipour, L., Spectroscopic properties and potential energy surfaces of electronic states of SbCl2, SbCl2+, SbBr2 and SbBr2+. Journal of Physical Chemistry A 1999, 103, (16), 3044-3053. [PDF]

458. Roszak, S.; Majumdar, D.; Balasubramanian, K., Theoretical Studies of Structures and Energetics of Benzene Complexes with Nb+ and Nb2+ Cations. Journal of Physical Chemistry A 1999, 103, (29), 5801-5806. [PDF]

457. Balasubramanian, K., In Graph Theory of Fullerene Cages, Proceedings of One Day Symposium on Applied Mathematical Chemistry: Molecular Descriptors and Their Applications in Structure-Property-Activity-Toxicity Relationships, Natural Resources Research Institute (NRRI), University of Minnesota, Duluth. MN, USA, May 3, 1999 1999; Basak, S. C., M. Randic, Ed. Natural Resources Research Institute (NRRI), University of Minnesota, Duluth. MN, USA, 1999. [PDF]

456. Balasubramanian, K., Relativistic Effects in Chemistry. In American Physical Society-Centennial Meeting, American Physical Society: Atlanta GA, 1999; p YC18.02. [PDF]

455. Tan, H.; Liao, M. Z.; Dai, D. G.; Balasubramanian, K., Potential energy surfaces of NbCO. Chemical Physics Letters 1998, 297, (3-4), 173-180. [PDF]

454. Feng, P. Y.; Liao, M. Z.; Balasubramanian, K., Low-lying electronic states of In2As2 and In2As2+ and In2As2-. Chemical Physics Letters 1998, 296, (3-4), 283-291. [PDF]

453. Tan, H.; Liao, M. Z.; Balasubramanian, K., Potential energy surfaces of OsCO. Chemical Physics Letters 1998, 290, (4-6), 458-464. [PDF]

452. Ping, Y. F.; Balasubramanian, K., Electronic states of Ga3P and GaP3 clusters. Chemical Physics Letters 1998, 288, (1), 1-6. [PDF]

451. Dai, D. G.; Majumder, D.; Balasubramanian, K., Theoretical studies of the interaction of butadiene with Rh and Rh2. Chemical Physics Letters 1998, 287, (1-2), 178-184. [PDF]

450. Tan, H.; Dai, D. G.; Balasubramanian, K., Spectroscopic properties and potential energy curves for 15 electronic states of palladium carbide (PdC). Chemical Physics Letters 1998,286, (5-6), 375-381. [PDF]

449. Feng, P. Y.; Balasubramanian, K., Electronic states and potential energy curves of In2P, InP2, In2P+, InP2+. Chemical Physics Letters 1998, 284, (5-6), 313-319. [PDF]

448. Majumdar, D.; Balasubramanian, K., Theoretical study of the potential energy curves and spectroscopic constants of TaC and TaC+. Chemical Physics Letters 1998, 284, (3-4), 273-280. [PDF]

447. Tan, H.; Liao, M. Z.; Balasubramanian, K., Potential energy surfaces of RuCO. Chemical Physics Letters 1998, 284, (1-2), 1-5. [PDF]

446. Feng, P. Y.; Balasubramanian, K., Electronic states for the In3P2 and In2P3 clusters. Chemical Physics Letters 1998, 283, (3-4), 167-173. [PDF]

445. Dai, D. G.; Balasubramanian, K., Geometries and energy separations of the electronic states of Ge5+ and Sn5+. Journal of Chemical Physics 1998, 108, (11), 4379-4385.  [PDF]

444. Majumdar, D.; Balasubramanian, K., Theoretical study of the electronic states of Rhn+ (n=3-5). Journal of Chemical Physics 1998, 108, (6), 2495-2503. [PDF]

443. Feng, P. Y.; Balasubramanian, K., Electronic states of In3Sb2, In2Sb3, and their positive ions. Journal of Physical Chemistry A 1998, 102, (45), 9047-9055. [PDF]

442. Roszak, S.; Balasubramanian, K., Structural and thermodynamic properties of diyttrium carbides Y2Cn (n=2-8): A theoretical study. Journal of Physical Chemistry A 1998, 102, (29), 6004-6009. [PDF]

441. Tan, H.; Liao, M. Z.; Balasubramanian, K., Electronic states and potential energy curves of zirconium and hafnium carbon monoxide. Journal of Physical Chemistry A 1998, 102, (9), 1602-1607. [PDF]

440. Tan, H.; Liao, M.; Dai, D. G.; Balasubramanian, K., Potential energy surfaces for Mo+CO and W+CO. Journal of Physical Chemistry A 1998, 102, (34), 6801-6806. [PDF]

439. Balasubramanian, K.; Basak, S. C., Characterization of isospectral graphs using graph invariants and derived orthogonal parameters. Journal of Chemical Information and Computer Sciences 1998, 38, (3), 367-373. [PDF]

438. McMurran, J.; Dai, D.; Balasubramanian, K.; Steffek, C.; Kouvetakis, J.; Hubbard, J. L., H2GaN3 and derivatives: A facile method to gallium nitride. Inorganic Chemistry 1998, 37, (26), 6638-6644. [PDF]

437. Feng, P. Y.; Wang, Y.; Liao, M. Z.; Balasubramanian, K., Relativistic Effects on Chemical and Spectra Properties of Heavy Atom Clusters. Chemistry -Chinese Chemical Society1998, 5, 25-32. [PDF]

436. Balasubramanian, K., In Relativistic Effects in Chemistry, Second Australian Conference on Physical Chemistry, University of Brisbane, Queensland, July 10-14, 1998; University of Brisbane, Queensland, 1998. [PDF]

435. Balasubramanian, K., Integration of Graph Theory and Quantum Chemistry. In First Indo-US workshop on Mathematical Chemistry-With Applications in Molecular Design and Hazard Assessment of Chemicals, Basak, S. C., Ed. Visva-Bharati University, Santiniketan, West Bengal, India, 1998. [PDF]

434. Balasubramanian, K., Relativistic effective Core Potentials for very Heavy Molecules. In Enclyclopedia Of Computational Chem, Schaefer, H. F., Ed. Wiley-Interscience: New York, 1998; p 175.  [PDF]

433. Roszak, S.; Balasubramanian, K. Potential Energy Surfaces for the Ta{sup+} + C{sub m} reaction, Basic Energy Sciences, Department of Energy, 1997, OTSI: 497654. [PDF]

432. Tan, H.; Liao, M. Z.; Balasubramanian, K., Electronic states and potential energy surfaces of rhodium carbide (RhC). Chemical Physics Letters 1997, 280, (5-6), 423-429.  [PDF]

431. Tan, H.; Liao, M. Z.; Balasubramanian, K., Electronic states and potential energy curves of iridium carbide (IrC). Chemical Physics Letters 1997, 280, (3-4), 219-226.  [PDF]

430. Majumdar, D.; Balasubramanian, K., Electronic states of Ta2C+. Chemical Physics Letters 1997, 280, (3-4), 212-218.  [PDF]

429. Dingguo Dai and K. Balasubramanian , Group VI trimers (Se3 , Te3 , and Po3 ). Electronic states and potential energy surfaces [J. Chem. Phys. 99, 5239 (1993)] , Journal of Chemical Physics 1997, 106,10385; doi: 10.1063/1.474132  [PDF]

428. Majumdar, D.; Balasubramanian, K., Theoretical study of the electronic states of Zr5. Chemical Physics Letters 1997, 279, (5-6), 403-410.  [PDF]

427. Dai, D. G.; Balasubramanian, K., Electronic states of Pb5: Geometries and energy separations. Chemical Physics Letters 1997, 271, (1-3), 118-124.  [PDF]

426. LatifzadehMasoudipour, L.; Balasubramanian, K., Electronic states and potential energy curves of PI2 and PI2+. Chemical Physics Letters 1997, 267, (5-6), 545-550.  [PDF]

425. Feng, P. Y.; Balasubramanian, K., Electronic states and potential energy curves of Ga2P, GaP2, and their ions. Chemical Physics Letters 1997, 265, (1-2), 41-47.  [PDF]

424. Roszak, S.; Balasubramanian, K., Theoretical study of the isomerization of TaCn+ (n=7-13) cations. Chemical Physics Letters 1997, 265, (3-5), 553-560.  [PDF]

423. Feng, P. Y.; Balasubramanian, K., Nearly-degenerate electronic states for Ga3P2 and Ga2P3. Chemical Physics Letters 1997, 265, (3-5), 547-552. �[PDF]

422. Balasubramanian, K.; Dai, D. G., Electronic states and potential energy surfaces of the tungsten trimer (W3). Chemical Physics Letters 1997, 265, (3-5), 538-546. [PDF]

421. Roszak, S.; Balasubramanian, K., Stabilities of isomers of LaC12+ and LaC13+. Chemical Physics Letters 1997, 264, (1-2), 80-84. [PDF]

420. Balasubramanian, K.; Sun, H. M., Euclidean inverses for the characterization of three-dimensional molecular structures. Chemical Physics Letters 1997, 264, (1-2), 70-79. [PDF]

419. Feng, P. Y.; Balasubramanian, K., Geometries and energy separations of the electronic states of In2P2. Chemical Physics Letters 1997, 264, (3-4), 449-453. [PDF]

418. Majumdar, D.; Roszak, S.; Balasubramanian, K., Theoretical study of the interaction of benzene with Rh+ and Rh2+ cations. Journal of Chemical Physics 1997, 107, (2), 408-414. [PDF]

417. Majumdar, D.; Balasubramanian, K., Theoretical studies of CO interaction on Rh3 cluster. Journal of Chemical Physics 1997, 106, (17), 7215-7222. [PDF]

416. Roszak, S.; Koski, W. S.; Kaufman, J. J.; Balasubramanian, K., Structure and energetics of CF3Cl-, CF3Br-, CF3I- radical anions. Journal of Chemical Physics 1997, 106, (18), 7709-7713. [PDF]

415. Majumdar, D.; Balasubramanian, K., Theoretical study of the electronic states of Rh5. Journal of Chemical Physics 1997, 106, (10), 4053-4060. [PDF]

414. Roszak, S.; Balasubramanian, K., Potential energy surfaces for the Ta+ +C2 reaction. Journal of Chemical Physics 1997, 106, (10), 4008-4012. [PDF]

413. Dai, D. G.; Balasubramanian, K., Group VI trimers (Se3, Te3 and Po3). Electronic states and potential energy surface-Addition (vol 99, pg 5239, 1993). Journal of Chemical Physics1997, 106, (24), 10385-10385. [PDF]

412. Roszak, S.; Balasubramanian, K., Theoretical investigation of structural and thermodynamic properties of lanthanum carbides LaCn (n=2-6). Journal of Chemical Physics 1997, 106, (1), 158-164. [PDF]

411. LatifzadehMasoudipour, L.; Balasubramanian, K., Geometries and energy separations of electronic states of AsCl2 , AsBr2, AsCl2+, and AsBr2+ Journal of Chemical Physics 1997,106, (7), 2695-2701. [PDF]

410. Roszak, S.; Balasubramanian, K., Electronic structure and thermodynamic properties of ScC2. Journal of Physical Chemistry A 1997, 101, (14), 2666-2669. [PDF]

409. Koski, W. S.; Roszak, S.; Kaufman, J. J.; Balasubramanian, K., Potential toxicity of CF3X halocarbons. In Vitro Toxicology 1997, 10, (4), 455-457. [PDF]

408. Balasubramanian, K., Electronic Structure of Very Heavy Clusters. In 9th International Congress of Quantum Chemistry, International Academy of Quantum Molecular Sciences: Atlanta, Georgia, 1997.

407. Balasubramanian, K., Relativisitc Effects in Chemistry Part B: Appplications. John Wiley & Sons: New York, 1997; p 527. [PDF]

406. Balasubramanian, K., Relativistic Effects in Chemistry: Part A Theory & Techniques. John Wiley & Sons: New York, 1997; p 301. [PDF]

405. Dai, D.; Balasubramanian, K., Electronic states of Rh4. Chemical Physics Letters 1996, 263, (5), 703-709. [PDF]

404. Majumdar, D.; Balasubramanian, K., A theoretical study of the curves for Ta+CO interaction. Chemical Physics Letters 1996, 262, (3-4), 263-268. [PDF]

403. LatifzadehMasoudipour, L.; Balasubramanian, K., Electronic states and potential energy curves of SbF2 and SbF2+. Chemical Physics Letters 1996, 262, (5), 553-558. [PDF]

402. Balasubramanian, K., Double group of the icosahedral group (Ih) and its application to fullerenes. Chemical Physics Letters 1996, 260, (3-4), 476-484. [PDF]

401. Latifzadeh, L.; Balasubramanian, K., Electronic states of PBr2 and PBr2+. Chemical Physics Letters 1996, 258, (3-4), 393-399. [PDF]

400. Feng, P. Y.; Balasubramanian, K., Electronic states of Ga2P2. Chemical Physics Letters 1996, 258, (3-4), 387-392. [PDF]

399. Latifzadeh, L.; Balasubramanian, K., Electronic states of the diatomic antimony fluoride (SbF). Chemical Physics Letters 1996, 257, (3-4), 257-264. [PDF]

398. Roszak, S.; Balasubramanian, K., Electronic structure and thermodynamic properties of YIrC and YIrC2. Chemical Physics Letters 1996, 254, (3-4), 274-280. [PDF]

397. Latifzadeh, L.; Balasubramanian, K., Spectroscopic constants and potential energy curves of AsF. Chemical Physics Letters 1996, 250, (2), 171-177. [PDF]

396. Dai, D. G.; Liao, M. Z.; Balasubramanian, K., Sixteen electronic states of the iridium trimer (Ir3). Chemical Physics Letters 1996, 249, (1-2), 141-148. [PDF]

395. Kaufman, J. J.; Koski, W. S.; Roszak, S.; Balasubramanian, K., Correlation between energetics and toxicities of single-carbon halides. Chemical Physics 1996, 204, (2-3), 233-237. [PDF]

394. Dai, D. G.; Balasubramanian, K., Geometries and energy separations of 28 electronic states of Ge5. Journal of Chemical Physics 1996, 105, (14), 5901-5906. [PDF]

393. Dai, D. G.; Roszak, S.; Balasubramanian, K., Theoretical study of potential energy surfaces for interactions of Pd2 with CO. Journal of Chemical Physics 1996, 104, (4), 1471-1476. [PDF]

392. Roszak, S.; Balasubramanian, K., Theoretical study of structural and thermodynamic properties of yttrium carbides, YCn (n=2-6). Journal of Physical Chemistry 1996, 100, (20), 8254-8259. [PDF]

391. Roszak, S.; Balasubramanian, K., Electronic structure and thermodynamic properties of LaC2. Journal of Physical Chemistry 1996, 100, (27), 11255-11259. [PDF] �

390. Dai, D. G.; Balasubramanian, K., Geometries and energy separations of 24 electronic states of Sn5. Journal of Physical Chemistry 1996, 100, (50), 19321-19325. [PDF]

389. Balasubramanian, K., In Relativity and Chemical Bonding, American Conference on Theoretical Chemistry, Park City, Utah, July 21-25, 1996; Park City, Utah, 1996.

388. Dai, D. G.; Balasubramanian, K., Potential energy surfaces for the Ga2As+Cl etching reaction. Chemical Physics Letters 1995, 247, (4-6), 373-378. [PDF]

387. Roszak, S.; Balasubramanian, K., Theoretical-Study of Structure and Thermodynamic Properties of YC2. Chemical Physics Letters 1995, 246, (1-2), 20-25. [PDF]

386. Dai, D. G.; Xu, H.; Balasubramanian, K., Electronic States of GeCl+. Chemical Physics Letters 1995, 245, (4-5), 503-508. [PDF]

385. Latifzadeh, L.; Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves of PF. Chemical Physics Letters 1995, 243, (3-4), 243-249. [PDF]

384. Latifzadeh, L.; Balasubramanian, K., Electronic States of PCl2 and PCl2+. Chemical Physics Letters 1995, 241, (1-2), 13-20. [PDF]

383. Liao, M. Z.; Dai, D. G.; Balasubramanian, K., Electronic States of the Ga3As2 and Ga2As3 Clusters. Chemical Physics Letters 1995, 239, (1-3), 124-130.  [PDF]

382. Balasubramanian, K., A Topological Analysis of the C60 Buckminsterfullerene and C70 Based on Distance Matrices. Chemical Physics Letters 1995, 239, (1-3), 117-123. [PDF]

381. Dai, D. G.; Balasubramanian, K., Ionization Energies of YN (N=1-4). Chemical Physics Letters 1995, 238, (1-3), 203-207. [PDF]

380. Xu, H.; Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves of GeF+. Chemical Physics Letters 1995, 237, (1-2), 7-13. [PDF]

379. Balasubramanian, K., Enumeration of Chiral and Achiral Edge and Face Substitutions of Buckminsterfullerene. Chemical Physics Letters 1995, 237, (3-4), 229-238. [PDF]

378. Latifzadeh, L.; Balasubramanian, K., Electronic States of AsF2 and AsF2+ Chemical Physics Letters 1995, 237, (3-4), 222-228. [PDF]

377. Balasubramanian, K., Graph-Theoretical Perception of Molecular Symmetry (Vol 232, Pg 415, 1995). Chemical Physics Letters 1995, 235, (3-4), 394-394. [PDF] https://www.sciencedirect.com/science/article/pii/000926149500189B?via%…

376. Balasubramanian, K., Geometry-Dependent Connectivity Indexes for the Characterization of Molecular-Structures. Chemical Physics Letters 1995, 235, (5-6), 580-586. [PDF]

375. Roszak, S.; Balasubramanian, K., Theoretical-Study of the Interaction of Benzene with Platinum Atom and Cation. Chemical Physics Letters 1995, 234, (1-3), 101-106. [PDF]

374. Balasubramanian, K., Graph-Theoretical Perception of Molecular Symmetry. Chemical Physics Letters 1995, 232, (5-6), 415-423. [PDF]

373. Dai, D. G.; Balasubramanian, K., Spectroscopic Properties of PtN. Journal of Molecular Spectroscopy 1995, 172, (2), 421-429. [PDF]

372. Balasubramanian, K.; Xu, H., Spectroscopic Properties and Potential-Energy Curves of SnF+. Journal of Molecular Spectroscopy 1995, 171, (2), 555-564. [PDF]

371. Balasubramanian, K., Computer Perception of NMR Symmetry. Journal of Magnetic Resonance Series A 1995, 112, (2), 182-190. [PDF]

370. Dai, D. G.; Balasubramanian, K., Electronic-Structures of Pd4 and Pt4. Journal of Chemical Physics 1995, 103, (2), 648-655. [PDF]

369. Roszak, S.; Balasubramanian, K., A Theoretical-Study of Bridged Vs Atop Interactions of Pt2 with CO. Journal of Chemical Physics 1995, 103, (3), 1043-1049. [PDF]

368. Dal, D. G.; Liao, D. W.; Balasubramanian, K., Potential-Energy Surfaces for Pt3 + H2 and Pd3 + H2 Systems. Journal of Chemical Physics 1995, 102, (19), 7530-7539. [PDF]

367. Jung, K. Y.; Steimle, T. C.; Dai, D.; Balasubramanian, K., Experimental-Determination of Dipole-Moments, Hyperfine Interactions, and Ab-Initio Predictions for PtN. Journal of Chemical Physics 1995, 102, (2), 643-652. [PDF]

366. Roszak, S.; Balasubramanian, K., Theoretical-Study of the Diels-Alder Reactions of Zirconium Dimer with Ethylene and Butadiene. Journal of Physical Chemistry 1995, 99, (11), 3487-3492. [PDF]

365. Balasubramanian, K., Distance Spectra and Distance Polynomials of Fullerenes. Journal of Physical Chemistry 1995, 99, (27), 10785-10796. [PDF]

364. Balasubramanian, K., Laplacians of Fullerenes (C42-C90). Journal of Physical Chemistry 1995, 99, (17), 6509-6518. [PDF]

363. Roszak, S.; Chojnacki, H.; Balasubramanian, K., On Symmetry-Concerted Organometallic Analogs of the Ethylene Dimerization. Acta Physica Polonica A 1995, 87, (6), 965-969. [PDF]

362. Balasubramanian, K., Computation of Spanning Tree Generators of Fullerenes. Molecular Physics 1995, 85, (2), 335-348. [PDF]

361. Balasubramanian, K., Computational Strategies for the Generation of Equivalence Classes of Hadamard-Matrices. Journal of Chemical Information and Computer Sciences 1995,35, (3), 581-589. [PDF]

360. Balasubramanian, K., Computer-Generation of Nuclear Equivalence Classes Based on the 3-Dimensional Molecular-Structure. Journal of Chemical Information and Computer Sciences 1995, 35, (2), 243-250. [PDF]

359. Balasubramanian, K., Computer Perception of Molecular Symmetry. Journal of Chemical Information and Computer Sciences 1995, 35, (4), 761-770. [PDF]

358. Balasubramanian, K., Combinatorics and Spectroscopy. In Chemical Group Theory. Techniques and Applications, Bonchev, D., Rouvray, D. H., Ed. Gordon and Breach Publications: Amstedam, 1995; 4, 37-70. [PDF]

357. Roszak, S.; Balasubramanian, K., Reaction of the Copper Dimer with Ethylene - a Theoretical-Study. Chemical Physics Letters 1994, 231, (1), 18-24. [PDF]

356. Dai, D. G.; Balasubramanian, K., 12 Electronic States and Potential-Energy Surface of Zr3. Chemical Physics Letters 1994, 231, (4-6), 352-358. [PDF]

355. Latifzadeh, L.; Balasubramanian, K., Electronic States of PF2 and PF2+. Chemical Physics Letters 1994, 228, (4-5), 463-470. [PDF]

354. Balasubramanian, K., Laplacian Polynomials of Fullerenes (C20-C40). Chemical Physics Letters 1994, 224, (3-4), 325-332. [PDF]

353. Dai, D.; Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves of SnF. Chemical Physics Letters 1994, 224, (5-6), 425-431. [PDF]

352. Manoharan, M.; Balakrishnarajan, M. M.; Venuvanalingam, P.; Balasubramanian, K., Topological Resonance Energy Predictions of the Stability of Fullerene Clusters. Chemical Physics Letters 1994, 222, (1-2), 95-100. [PDF]

351. Liao, D. W.; Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves for GeF. Journal of Molecular Spectroscopy 1994, 163, (1), 284-290. [PDF]

350. Dai, D. G.; Balasubramanian, K., Potential-Energy Surfaces for Rh-CO, Rh-OC, Ir-Co, and Ir-OC Interactions. Journal of Chemical Physics 1994, 101, (3), 2148-2156. [PDF]

349. Roszak, S.; Kaufman, J. J.; Koski, W. S.; Vijayakumar, M.; Balasubramanian, K., Potential-Energy Curves of Ground and Excited-States of Tetra Halomethanes and the Negative-Ions. Journal of Chemical Physics 1994, 101, (4), 2978-2985. [PDF]

348. Dai, D.; Balasubramanian, K., Pt3Au and PtAu Clusters - Electronic States and Potential-Energy Surfaces. Journal of Chemical Physics 1994, 100, (6), 4401-4407. [PDF]

347. Benavidesgarcia, M.; Balasubramanian, K., Bond-Energies, Ionization-Potentials, and the Singlet-Triplet Energy Separations of SnCl2, SnBr2, SnI2, PbCl2, PbBr2, PbI2 and Their Positive-Ions. Journal of Chemical Physics 1994, 100, (4), 2821-2830. [PDF]

346. Dai, D. G.; Alzahrani, M. M.; Balasubramanian, K., Geometries and Energy Separations of Electronic States of GeF2, SnF2, PbF2 and Their Positive-Ions. Journal of Physical Chemistry 1994, 98, (37), 9233-9241. [PDF]

345. Balasubramanian, K., Computer-Generation of Automorphism-Groups of Weighted Graphs. Journal of Chemical Information and Computer Sciences 1994, 34, (5), 1146-1150. [PDF]

344. Balasubramanian, K., Are There Signed Cospectral Graphs. Journal of Chemical Information and Computer Sciences 1994, 34, (5), 1103-1104. [PDF]

343. Balasubramanian, K., Computational Techniques for the Automorphism Groups of Graphs. Journal of Chemical Information and Computer Sciences 1994, 34, (3), 621-626. [PDF]

342. Balasubramanian, K., Exhaustive Generation and Analytical Expressions of Matching Polynomials of Fullerenes C20-C50. Journal of Chemical Information and Computer Sciences1994, 34, (2), 421-427. [PDF]

341. Roszak, S.; Balasubramanian, K., Organometallic Analogs of the Diels-Alder Reaction - Molybdenum Dimer Plus Ethylene - Molybdenum Dimer Plus Butadiene. Inorganic Chemistry 1994, 33, (18), 4169-4172. [PDF]

340. Roszak, S.; Balasubramanian, K., Unresolved Mathematical Problems in the Representation of Potential-Energy Surfaces by Many-Body Potentials. Journal of Mathematical Chemistry 1994, 16, (1-2), 217-220. [PDF]

339. Balasubramanian, K., Integration of Graph Theory and Quantum Chemistry for Structure-Activity Relations. SAR and QSAR in Environmental Research 1994, 2, 59-77. [PDF]

338. Balasubramanian, K., Potential Energy Surfaces for the Insertion of Third Row Transition Metal Atoms (Hf-Pt) into H2. In Advances in Metal and Semi-Conductor Clusters, Duncan, M., Ed. JAI: NJ, 1994; Vol. 2, pp 115-136. [PDF]

337. Balasubramanian, K., Relativistic Effects and Electronic Structure of Lanthanide and Actinide Molecules. In Handbook on the Physics and Chemistry of Rare Earths, Eyring, L., Ed. Elsevier Science Publishers: Amsterdam, 1994; pp 29-158. [PDF]

336. Vijayakumar, M.; Roszak, S.; Balasubramanian, K., An Efficient Relativistic Multireference Configuration-Interaction Method. Chemical Physics Letters 1993, 215, (1-3), 87-92. [PDF]

335. Roszak, S.; Balasubramanian, K.; Kaufman, J. J.; Koski, W. S., Multireference Configuration-Interaction Study of Temporary Anion States in Haloforms. Chemical Physics Letters1993, 215, (5), 427-432. [PDF]

334. Balasubramanian, K.; Feng, P. Y., Potential-Energy Curves for Electron-Beam Excitation of RbXe+ Excimer. Chemical Physics Letters 1993, 214, (1), 85-90. [PDF]

333. Liao, D. W.; Balasubramanian, K., Germanium Monochloride (GeCl) - Spectroscopic Constants and Potential-Energy Curves. Chemical Physics Letters 1993, 213, (1-2), 174-180. [PDF]

332. Roszak, S.; Balasubramanian, K., 1st-Principle Interatomic Potentials for the Carbon-Monoxide Platinum Reaction. Chemical Physics Letters 1993, 212, (1-2), 150-154. [PDF]

331. Balasubramanian, K., Topological Characterization of five C78 Fullerene Isomers (Erratum: Vol 206, Pg 210, 1993). Chemical Physics Letters 1993, 211, (6), 649-649. [PDF]

330. Benavidesgarcia, M.; Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves of PbBr. Chemical Physics Letters 1993, 211, (6), 631-636. [PDF]

329. Balasubramanian, K., Molecular-Orbitals and Hadamard-Matrices. Chemical Physics Letters 1993, 210, (1-3), 216-222. [PDF]

328. Balasubramanian, K., ESR Hyperfine Patterns for the Radicals Derived from C60 and C70. Chemical Physics Letters 1993, 210, (1-3), 153-158. [PDF]

327. Roszak, S.; Vijayakumar, M.; Balasubramanian, K.; Koski, W. S., A Multireference Configuration-Interaction Study of Photoelectron-Spectra of Carbon Tetrahalides. Chemical Physics Letters 1993, 208, (3-4), 225-231. [PDF]

326. Balasubramanian, K., Spectra of Matching Polynomials. Chemical Physics Letters 1993, 208, (3-4), 219-224. [PDF]

325. Balasubramanian, K., Characteristic-Polynomials of Fullerene Cages - Reply. Chemical Physics Letters 1993, 206, (5-6), 586-587. [PDF]

324. Balasubramanian, K., Topological Characterization of Five C78 Fullerene Isomers. Chemical Physics Letters 1993, 206, (1-4), 210-216. [PDF]

323. Balasubramanian, K., Spin-Orbit Effects in Transition-Metal Compounds. Abstracts of Papers of the American Chemical Society 1993, 205, 7-PHYS. [PDF]

322. Balasubramanian, K., Energy Separations for the Electronic States of PH2-, PH2 and PH2+. Chemical Physics Letters 1993, 204, (5-6), 601-607. [PDF]

321. Balasubramanian, K., Nuclear-Spin Multiplets for the Dodecahedral N20 Cluster. Chemical Physics Letters 1993, 202, (3-4), 271-277. [PDF]

320. Balasubramanian, K., Enumeration of Isomers of Substituted Fullerene Cages C20-C50. Chemical Physics Letters 1993, 202, (5), 399-405. [PDF]

319. Balasubramanian, K., Matching Polynomials of Fullerene Clusters. Chemical Physics Letters 1993, 201, (1-4), 306-314. [PDF]

318. Liao, D. W.; Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves for GeBr. Journal of Molecular Spectroscopy 1993, 162, (2), 498-504. [PDF]

317. Benavidesgarcia, M.; Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves of PbI. Journal of Molecular Spectroscopy 1993, 161, (2), 552-559. [PDF]

316. Dai, D. G.; Balasubramanian, K., Spectroscopic Properties and Potential-Energy Curves for 21 Electronic States of CrH. Journal of Molecular Spectroscopy 1993, 161, (2), 455-465. [PDF]

315. Balasubramanian, K.; Andrae, D.; Dolg, M.; Stoll, H.; Preuss, H., Comparison of Spectroscopic Constants of OsH from Different Ab-Initio Calculations. Journal of Molecular Spectroscopy 1993, 160, (2), 585-589. [PDF]

314. Dai, D. G.; Balasubramanian, K., Spectroscopic Properties and Potential-Energy Curves for 30 Electronic States of ReH. Journal of Molecular Spectroscopy 1993, 158, (2), 455-467. [PDF]

313. Balasubramanian, K., Nuclear-Spin Statistics of the Tetravalent C28-Fullerene and Its Derivatives. Journal of Molecular Spectroscopy 1993, 157, (1), 254-260. [PDF]

312. Balusubramanian, K., Spectroscopic Constants and Potential Energy Curves of SnBr. Journal of Molecular Spectroscopy 1993, 157, (1), 268-270. [PDF]

311. Balasubramanian, K.; Dai, D. G., Group-VI Trimers (Se3, Te3 and Po3) - Electronic States and Potential-Energy Surfaces. Journal of Chemical Physics 1993, 99, (7), 5239-5250. [PDF]

310. Dai, D. G.; Balasubramanian, K., Electronic States of GaX2 and GaX3 (X = Cl, Br, and I. Journal of Chemical Physics 1993, 99, (1), 293-301. [PDF]

309. Fletcher, D. A.; Dai, D.; Steimle, T. C.; Balasubramanian, K., The Permanent Electric-Dipole Moment of NbN. Journal of Chemical Physics 1993, 99, (11), 9324-9325. [PDF]

308. Dai, D. G.; Balasubramanian, K., Electronic States of Yn(n=2-4). Journal of Chemical Physics 1993, 98, (9), 7098-7106. [PDF]

307. Zhang, H. X.; Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves for 15 Electronic States of Ag2. Journal of Chemical Physics 1993, 98, (9), 7092-7097. [PDF]

306. Balasubramanian, K.; Chung, Y.; Glausinger, W. S., Geometries and Bond Energies of PHn and PHn+ (n=1-3). Journal of Chemical Physics 1993, 98, (11), 8859-8869. [PDF]

305. Zhang, H. X.; Balasubramanian, K., Analytical Expressions for the Moments and Characteristic-Polynomials of Fullerenes Containing Isolated Pentagons. Journal of Physical Chemistry 1993, 97, (40), 10341-10345. [PDF]

304. Roszak, S.; Balasubramanian, K., Potential-Energy Curves for Pt-CO Interactions. Journal of Physical Chemistry 1993, 97, (43), 11238-11241. [PDF]

303. Balasubramanian, K., Nuclear-Spin Statistics of Fullerene Cages (C20-C40). Journal of Physical Chemistry 1993, 97, (18), 4647-4658. [PDF]

302. Balasubramanian, K., Enumeration of Chiral and Positional Isomers of Substituted Fullerene Cages (C20-C70). Journal of Physical Chemistry 1993, 97, (27), 6990-6998. [PDF]

301. Balasubramanian, K., Nuclear-Spin Statistics of Larger Fullerene Cages (C50, C70, C76, and C84). Journal of Physical Chemistry 1993, 97, (34), 8736-8744. [PDF]

300. Balasubramanian, K., Imminant Polynomials of Graphs. Theoretica Chimica Acta 1993, 85, (5), 379-390. [PDF]

299. Balasubramanian, K., The Effects of Relativity in Atoms, Molecules and the Solid State American Scientist 1993, 81, 386-387. [PDF]

298. Balasubramanian, K., Nuclear-Spin Multiplets for five 13C78 Fullerene Isomers. Molecular Physics 1993, 80, (3), 655-669. [PDF]

297. Zhang, H. X.; Balasubramanian, K., Spectral Moments of Fullerene Cages. Molecular Physics 1993, 79, (4), 727-745. [PDF]

296. Balasubramanian, K., Characterization of Hadamard-Matrices. Molecular Physics 1993, 78, (5), 1309-1329. [PDF]

295. Balasubramanian, K.; Spin-orbit effects in transition metal compounds, American Chemical Society national meeting, Denver, CO (United States), 28 Mar - 2 Apr 1993; PBD: 1993; Related Information: Is Part Of 205th ACS national meeting; PB: 1951 p. CONF-930304-TRN: 93:003688-1058. Spin-orbit effects in transition metal compounds (Conference) | OSTI.GOV [PDF]

294. Razinger, M.; Balasubramanian, K.; Perdih, M.; Munk, M. E., Stereoisomer Generation in Computer-Enhanced Structure Elucidation. Journal of Chemical Information and Computer Sciences 1993, 33, (6), 812-825. [PDF]

293. Razinger, M.; Balasubramanian, K.; Munk, M. E., Graph Automorphism Perception Algorithms in Computer-Enhanced Structure Elucidation. Journal of Chemical Information and Computer Sciences 1993, 33, (2), 197-201. [PDF]

292. Balasubramanian, K., Computer-Generation of Hadamard-Matrices. Journal of Computational Chemistry 1993, 14, (5), 603-619. [PDF]

291. Balasubramanian, K., Generalization of Debruijn Extension of Polya Theorem to All Characters. Journal of Mathematical Chemistry 1993, 14, (2), 113-120. [PDF]

290. Zhang, H. X.; Balasubramanian, K., Moments and Characteristic-Polynomials for Square Lattice Graphs. Journal of Mathematical Chemistry 1993, 12, (1-4), 219-234. [PDF]

289. Balasubramanian, K., Graph Theoretical Characterization of Fullerene Cages. Journal of Polycyclic Aromatic Compounds 1993, 3, 247-259. [PDF]

288. Balasubramanian, K., In Topological and Mathematical Properties of Fullerene Cages, 5th International Conference on Mathematical and Computational Chemistry, Kansas City, MO, May 17-21, 1993; Dias, J. R., Ed. International Society for Mathematical Chemistry: Kansas City, MO, 1993. [PDF]

287. Balasubramanian, K., Comment on Nuclear Spin Weights of 12C60 and 13C60 Buckminsterfullerene. Chemical Physics Letters 1992, 200, (6), 649-650. [PDF]

286. Balasubramanian, K., Characteristic-Polynomials of Fullerene Cages. Chemical Physics Letters 1992, 198, (6), 577-586. [PDF]

285. Balasubramanian, K., NMR and ESR Predictions for the Tetravalent C28 Fullerene. Chemical Physics Letters 1992, 197, (1-2), 55-58. [PDF]

284. Dai, D.; Balasubramanian, K., High-Spin Electronic States of the Rhodium Trimer (Rh3). Chemical Physics Letters 1992, 195, (2-3), 207-213. [PDF]

283. Balasubramanian, K.; Das, K. K.; Liao, D. W., Spectroscopic Constants and Potential-Energy Curves for Hg2. Chemical Physics Letters 1992, 195, (5-6), 487-493. [PDF]

282. Kim, G. B.; Balasubramanian, K., Spectroscopic Properties and Potential-Energy Curves of GaCl. Chemical Physics Letters 1992, 193, (1-3), 109-114. [PDF]

281. Dai, D.; Sumathi, K.; Balasubramanian, K., Eight Electronic States and Potential-Energy Surfaces of Ge3. Chemical Physics Letters 1992, 193, (4), 251-257. [PDF]

280. Dai, D.; Balasubramanian, K., Electronic States of Zr4. Chemical Physics Letters 1992, 193, (6), 565-572. [PDF]

279. Dai, D. G.; Huang, A. P.; Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves for 18 Electronic States of IrH+. Journal of Molecular Spectroscopy 1992,154, (2), 345-354. [PDF]

278. Kim, G. B.; Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves of GaBr. Journal of Molecular Spectroscopy 1992, 152, (1), 192-198. [PDF]

277. Zhang, H. X.; Balasubramanian, K., Electronic-Structure of the Group-V Tetramers (P4-Bi4). Journal of Chemical Physics 1992, 97, (5), 3437-3444. [PDF]

276. Benavidesgarcia, M.; Balasubramanian, K., The Singlet Triplet Energy Separations of GeCl2, GeBr2, GeI2, GeHCl, GeHBr and GeHI. Journal of Chemical Physics 1992, 97, (10), 7537-7544. [PDF]

275. Vijayakumar, M.; Balasubramanian, K., Electronic States of Thallium Clusters and Their Positive-Ions [Tln,Tln+ (n=2-5)]. Journal of Chemical Physics 1992, 97, (10), 7474-7488. [PDF]

274. Liao, D. W.; Balasubramanian, K., Electronic-Structure of Cu6, Ag6, Au6, and Their Positive-Ions. Journal of Chemical Physics 1992, 97, (4), 2548-2552. [PDF]

273. Roszak, S.; Kaufman, J. J.; Koski, W. S.; Barreto, R. D.; Fehlner, T. P.; Balasubramanian, K., Experimental and Theoretical-Studies of Photoelectron-Spectra of Oxetane and Some of Its Halogenated Methyl-Derivatives. Journal of Physical Chemistry 1992, 96, (18), 7226-7230. [PDF]

272. Dai, D.; Balasubramanian, K., Electronic-Structure and Potential-Energy Surfaces of Positive-Ions of Group-IV Tetramers (Ge4+-Pb4+). Journal of Physical Chemistry 1992, 96, (23), 9236-9243. [PDF]

271. Dai, D. G.; Balasubramanian, K., Electronic-Structure of Group-IV Tetramers (Si4-Pb4). Journal of Chemical Physics 1992, 96, (11), 8345-8353. [PDF]

270. Liao, D. W.; Balasubramanian, K., Electronic-Structure of the III-V Tetramer Clusters and Their Positive-Ions. Journal of Chemical Physics 1992, 96, (12), 8938-8947. [PDF]

269. Balasubramanian, K.; Feng, P. Y., Potential-Energy Surfaces for Pd2+H and Ni2+H Interactions. Journal of Chemical Physics 1992, 96, (4), 2881-2888. [PDF]

268. Zhang, H. X.; Balasubramanian, K., Potential-Energy Surfaces for Insertion of Ni+, Pd+, and Pt+ into H2. Journal of Physical Chemistry 1992, 96, (17), 6981-6985. [PDF]

267. Dai, D. G.; Balasubramanian, K., Potential-Energy Surfaces for Pt3+H and Pd3+H Interactions. Journal of Physical Chemistry 1992, 96, (8), 3279-3282. [PDF]

266. Dai, D.; Balasubramanian, K., Potential-Energy Surfaces for OsH2. Theoretica Chimica Acta 1992, 83, (1-2), 141-154. [PDF]

265. Balasubramanian, K., Combinatorics of NMR and ESR Spectral Simulations. Journal of Chemical Information and Computer Sciences 1992, 32, (4), 296-298. [PDF]

264. Balasubramanian, K., Combinatorics of Cluster Enumeration. Journal of Chemical Information and Computer Sciences 1992, 32, (1), 47-54. [PDF]

263. Balasubramanian, K., Combinatorics of Cluster and Isomer Enumeration. Abstracts of Papers of the American Chemical Society 1991, 202, 28-COMP.

262. Balasubramanian, K., Combinatorics of NMR and ESR Spectral Simulations. Abstracts of Papers of the American Chemical Society 1991, 202, 1-COMP. [PDF]

261. Balasubramanian, K.; Das, K. K., Excited Electronic States of Au3. Chemical Physics Letters 1991, 186, (6), 577-582. [PDF]

260. Balasubramanian, K.; Correction: Applications of Combinatorics and Graph Theory to Spectroscopy and Quantum Chemistry Chemical Reviews 1991, 91, 259-259. [PDF]

259. Dai, D.; Balasubramanian, K., Potential-Energy Surfaces for the Insertion of Os+ into H2. Chemical Physics Letters 1991, 185, (1-2), 165-171. [PDF]

258. Dai, D. G.; Das, K. K.; Balasubramanian, K., Electronic States of Pd3+. Chemical Physics Letters 1991, 184, (5-6), 589-595. [PDF]

257. Balasubramanian, K., Nuclear-Spin Statistics of C60, C60H60 and C60D60. Chemical Physics Letters 1991, 183, (3-4), 292-296. [PDF]

256. Balasubramanian, K., Enumeration of Isomers of Polysubstituted C60 and Application to NMR. Chemical Physics Letters 1991, 182, (3-4), 257-262. [PDF]

255. Ma, Z. X.; Balasubramanian, K., Electronic States of WH. Chemical Physics Letters 1991, 181, (5), 467-473. [PDF]

254. Das, K. K.; Balasubramanian, K., Electron-Affinities of Ag4 and Au4. Chemical Physics Letters 1991, 176, (6), 571-574. [PDF]

253. Benavidesgarcia, M.; Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves for OsH. Journal of Molecular Spectroscopy 1991, 150, (1), 271-279. [PDF]

252. Cheng, W.; Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves for TaH. Journal of Molecular Spectroscopy 1991, 149, (1), 99-108. [PDF]

251. Das, K. K.; Balasubramanian, K., Electronic States and Potential-Energy Curves of ZrH+ and NbH+. Journal of Molecular Spectroscopy 1991, 148, (1), 250-261. [PDF]

250. Das, K. K.; Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves of RhH+. Journal of Molecular Spectroscopy 1991, 147, (1), 114-119. [PDF]

249. Balasubramanian, K.; Das, K. K., Spectroscopic Constants and Potential-Energy Curves of HfH. Journal of Molecular Spectroscopy 1991, 145, (1), 142-150. [PDF]

248. Balasubramanian, K.; Sumathi, K.; Dai, D. G., Group-V Trimers and Their Positive-Ions - the Electronic-Structure and Potential-Energy Surfaces. Journal of Chemical Physics1991, 95, (5), 3494-3505. [PDF]

247. Balasubramanian, K.; Liao, D. W., Spectroscopic Constants and Potential-Energy Curves of Bi2 and Bi2+. Journal of Chemical Physics 1991, 95, (5), 3064-3073. [PDF]

246. Das, K. K.; Balasubramanian, K., Potential-Energy Surfaces for RhH2+. Journal of Physical Chemistry 1991, 95, (18), 6880-6883. [PDF]

245. Dai, D. G.; Balasubramanian, K., Potential-Energy Surfaces for the Insertion of Re and Re+ into H2. Journal of Chemical Physics 1991, 95, (6), 4284-4295. [PDF]

244. Balasubramanian, K.; Tao, J. X.; Liao, D. W., Model-Calculations for Halogen-Etching of GaAs and InSb - Potential-Energy Surfaces for GaAs+Cl, GaAs+Br, InSb+Cl, and InSb+Br Reactions. Journal of Chemical Physics 1991, 95, (7), 4905-4913. [PDF]

243. Balasubramanian, K.; Ma, Z., Potential-Energy Surfaces for the Insertion of W into H2 and W+ into H2. Journal of Physical Chemistry 1991, 95, (24), 9794-9800. [PDF]

242. Das, K. K.; Balasubramanian, K., Potential-Energy Surfaces for Insertion of Hf Atoms into H2. Journal of Physical Chemistry 1991, 95, (10), 3979-3984. [PDF]

241. Das, K. K.; Balasubramanian, K., Electronic States and Potential-Energy Surfaces of LaH2. Journal of Physical Chemistry 1991, 95, (1), 42-46. [PDF]

240. Balasubramanian, K., Group-Theory and Nuclear-Spin Statistics of Weakly-Bound (H2O)N, (NH3)N, (CH4)N, and NH4+(NH3)N. Journal of Chemical Physics 1991, 95, (11), 8273-8286. [PDF]

239. Dai, D. G.; Cheng, W.; Balasubramanian, K., Potential-Energy Surfaces for the Insertion of Ta and Ta+ into H2. Journal of Chemical Physics 1991, 95, (12), 9094-9105. [PDF]

238. Das, K. K.; Balasubramanian, K., Electronic States of Ru2. Journal of Chemical Physics 1991, 95, (4), 2568-2571. [PDF]

237. Balasubramanian, K.; Feng, P. Y., Electronic States of Ga4 and In4. Journal of Chemical Physics 1991, 94, (10), 6664-6669. [PDF]

236. Das, K. K.; Balasubramanian, K., Geometries and Potential-Energy Curves of Insb2, SbIn2, GaAs2, AsGa2, and Their Ions. Journal of Chemical Physics 1991, 94, (10), 6620-6631. [PDF]

235. Das, K. K.; Balasubramanian, K., Potential-Energy Surfaces of LaH+ and LaH2+. Journal of Chemical Physics 1991, 94, (5), 3722-3729. [PDF]

234. Balasubramanian, K., Potential-Energy Surfaces for the Pt2 + H2 Reaction. Journal of Chemical Physics 1991, 94, (2), 1253-1263. [PDF]

233. Balasubramanian, K.; Tao, J. X., Electronic States, Ionization-Potentials, and Bond-Energies of TlHn, InHn, TlHn+, and InHn+ (n=1-3). Journal of Chemical Physics 1991, 94, (4), 3000-3010. [PDF]

232. Balasubramanian, K.; Das, K. K., Electronic States of Cu4+, Ag4+, Au4+-Interpretation of the Optical Spectra of Cu4+. Journal of Chemical Physics 1991, 94, (4), 2923-2927. [PDF]

231. Balasubramanian, K.; Liao, D. W., Is Au6 a Circular Ring. Journal of Chemical Physics 1991, 94, (7), 5233-5236. [PDF]

230. Balasubramanian, K., Spectroscopic properties and potential energy curves for heavy p-block diatomic hydrides, halides, and chalconides [Erratum to document cited in CA111(26):239649r]. Chemical Reviews 1991, 91, (2), 259-259. [PDF]

229. Balasubramanian, K., Combinatorial Methods in ESR Spectroscopy. Journal of Magnetic Resonance 1991, 91, (1), 45-56. [PDF]

228. Balasubramanian, K.; Christiansen, P. A.; Pitzer, K. S., Relativistic Effects in Bonding and Dipole-Moments for the Diatomic Hydrides of the 6th-Row Heavy-Elements - Comment.Physical Review A 1991, 43, (5), 2581-2582. [PDF]

227. Balasubramanian, K., Theoretical Calculations on the Transition Energies of the UV-Visible Spectra of Curcumin Pigment in Turmeric. Indian Journal of Chemistry Section a-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry 1991, 30, (1), 61-65. [PDF]

226. Dai, D. G.; Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves of IrH. New Journal of Chemistry 1991, 15, (10-11), 721-726. [PDF]

225. Balasubramanian, K., Comments on the Characteristic Polynomial of a Graph. Journal of Computational Chemistry 1991, 12, (2), 248-253. [PDF]

224. Balasubramanian, K., Computer Enumeration of Walks on Directed-Graphs. Journal of Computational Chemistry 1991, 12, (1), 106-112. [PDF]

223. Balasubramanian, K., Graph-Theory and the PPP Method. Journal of Mathematical Chemistry 1991, 7, (1-4), 353-362. [PDF]

222. Balasubramanian, K., Relativistic Quantum Chemistry of Molecules Containing Very Heavy Atoms. In VIIth International Congress on Quantum Chemistry, International Academy of Quantum Molecular Sciences: Menton France, 1991.

221. Balasubramanian, K., Electronic Structure of Transition Metal Clusters and their Reactivities. In Gordon Research Conference on Metals & Semiconductor Clusters Gordon Research Conference: Brewster Academy, Wolfboro NH, 1991.

220. Balasubramanian, K., On Transversals in Latin Squares. Lin. Alg. Appl. 1990, 131, 125-129. [PDF]

219. Balasubramanian, K., Spectral Moments and Walks for Large Carbon Cage Clusters. Chemical Physics Letters 1990, 175, (3), 273-278. [PDF]

218. Das, K. K.; Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves of Electronic States of LaH. Chemical Physics Letters 1990, 172, (5), 372-378. [PDF]

217. Balasubramanian, K. Electronic states of GaAs and GaAs+ [J. Chem. Phys. 87, 3410 (1987)] , J. Chem. Phys. 1990, 92, 213 http://dx.doi.org/10.1063/1.458002&nbsp;[PDF]

216. Balasubramanian, K., Electronic-Structure of (GaAs)2. Chemical Physics Letters 1990, 171, (1-2), 58-62. [PDF]

215. Balasubramanian, K., Geometry Dependent Characteristic-Polynomials of Molecular-Structures. Chemical Physics Letters 1990, 169, (3), 224-228. [PDF]

214. Das, K. K.; Balasubramanian, K., Spectroscopic Properties and Potential-Energy Curves of 28 Electronic States of NbH. Journal of Molecular Spectroscopy 1990, 144, (2), 245-256. [PDF]

213. Das, K. K.; Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves of GeH+. Journal of Molecular Spectroscopy 1990, 143, (2), 195-202. [PDF]

212. Balasubramanian, K.; Wang, J. Z., Spectroscopic Constants and Potential-Energy Curves of 21 Electronic States of RuH. Chemical Physics 1990, 140, (2), 243-253. [PDF]

211. Das, K. K.; Balasubramanian, K., Spectroscopic Properties of Low-Lying Electronic States of Au2. Journal of Molecular Spectroscopy 1990, 140, (2), 280-294. [PDF]

210. Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves of GaAs, GaAs+ and GaAs-. Journal of Molecular Spectroscopy 1990, 139, (2), 405-423. [PDF]

209. Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves of Ga2, Ga2+ and Ga2-. Journal of Physical Chemistry 1990, 94, (20), 7764-7768. [PDF]

208. Balasubramanian, K.; Das, K. K., Binding-Energies and Ionization-Potentials of the Tetramers of Cu, Ag, and Au - Comments. Journal of Physical Chemistry 1990, 94, (21), 8379-8380. [PDF]

207. Balasubramanian, K.; Li, J. Q., Spectroscopic Properties and Potential-Energy Curves of MoH and MoH+. Journal of Physical Chemistry 1990, 94, (11), 4415-4419. [PDF]

206. Li, J. Q.; Balasubramanian, K., Potential Energy Surfaces for the Mo + H2 Reaction - Collinear Versus Perpendicular Collisions. Journal of Physical Chemistry 1990, 94, (2), 545-552. [PDF]

205. Balasubramanian, K.; Feng, P. Y., Geometries and Energy Separations of Low-Lying Electronic States of Ag4 and Cu4. Journal of Physical Chemistry 1990, 94, (4), 1536-1544. [PDF]

204. Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves for InH and InH+. Journal of Physical Chemistry 1990, 94, (17), 6582-6588. [PDF]

203. Das, K. K.; Balasubramanian, K., Geometries and Energies of GeHn and GeHn+ (n=1-4). Journal of Chemical Physics 1990, 93, (8), 5883-5889. [PDF]

202. Das, K. K.; Balasubramanian, K., Geometries and Energy Separations of Low-Lying States of YNH and NYH. Journal of Chemical Physics 1990, 93, (9), 6671-6675. [PDF]

201. Wang, L. S.; Lee, Y. T.; Shirley, D. A.; Balasubramanian, K.; Feng, P., Photoelectron-Spectroscopy and Electronic-Structure of Clusters of the Group-V Elements .1. Dimers.Journal of Chemical Physics 1990, 93, (9), 6310-6317. [PDF]

200. Balasubramanian, K.; Dai, D. G., Potential-Energy Surfaces for Ir + H2 and Ir+ + H2 Reactions. Journal of Chemical Physics 1990, 93, (10), 7243-7255. [PDF]

199. Das, K. K.; Balasubramanian, K., Potential-Energy Surfaces of 8 Low-Lying Electronic States of Rh3. Journal of Chemical Physics 1990, 93, (1), 625-632. [PDF]

198. Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves of 47 Electronic States of InSb, InSb+, and InSb-. Journal of Chemical Physics 1990, 93, (1), 507-519. [PDF]

197. Balasubramanian, K., Is N = 4 a Magic Number for Hen+ - Comment. Journal of Chemical Physics 1990, 93, (11), 8403-8404. [PDF]

196. Balasubramanian, K., The Low-Lying States of the 2nd-Row Transition-Metal Hydrides (YH-CdH). Journal of Chemical Physics 1990, 93, (11), 8061-8072. [PDF]

195. Dai, D. G.; Balasubramanian, K., Geometries and Energies of Electronic States of AsH3, SbH3, BiH3 and Their Positive Ion. Journal of Chemical Physics 1990, 93, (3), 1837-1846. [PDF]

194. Knight, L. B.; Cobranchi, S. T.; Herlong, J.; Kirk, T.; Balasubramanian, K.; Das, K. K., Laser Vaporization Rare-Gas Matrix-Isolation Electron-Spin-Resonance Studies of PdH2+, PdD2+, PdH, and PdD - Theoretical Investigation of PdH2+. Journal of Chemical Physics 1990, 92, (5), 2721-2732. [PDF]

193. Balasubramanian, K.; Ravimohan, C., Spectroscopic Properties of 34 Electronic States of Zirconium Dimer (Zr2). Journal of Chemical Physics 1990, 92, (6), 3659-3667. [PDF]

192. Sumathi, K.; Balasubramanian, K., Electronic States and Potential Energy Surfaces of H2Te, H2Po and Their Positive-Ions. Journal of Chemical Physics 1990, 92, (11), 6604-6619. [PDF]

191. Das, K. K.; Balasubramanian, K., Potential-Energy Surfaces for Tc+ + H2 and Ru+ + H2 Reactions. Journal of Chemical Physics 1990, 92, (11), 6697-6709. [PDF]

190. Balasubramanian, K.; Feng, P. Y., Potential-Energy Surfaces for Pt2 + H and Pt + H Interactions. Journal of Chemical Physics 1990, 92, (1), 541-550. [PDF]

189. Balasubramanian, K., Erratum: Electronic states of GaAs and GaAs+ [J. Chem. Phys. 87, 3410 (1987)]. Journal of Chemical Physics 1990, 92, (3), 2123-2123. [PDF]

188. Lai-Sheng, W.; Niu, B.; Lee, Y. T.; Shirley, D. A.; Balasubramanian, K., Photoelectron spectroscopy and electronic structure of heavy group IV-VI diatomics. Journal of Chemical Physics 1990, 92, (2), 899-908. [PDF]

187. Balasubramanian, K., Spectroscopic Constants and Potential-Energy Curves of Heavy P-Block Dimers and Trimers. Chemical Reviews 1990, 90, (1), 93-167. [PDF]

186. Liu, X. Y.; Balasubramanian, K.; Munk, M. E., Computer-Assisted Graph-Theoretical Construction of C-13 NMR Signal and Intensity Patterns. Journal of Magnetic Resonance1990, 87, (3), 457-474. [PDF]

185. Balasubramanian, K., Generators of the Character Tables of Generalized Wreath Product Groups. Theoretica Chimica Acta 1990, 78, (1), 31-43. [PDF]

184. Wang, J. Z.; Das, K. K.; Balasubramanian, K., Potential-Energy Surfaces for Insertion of Zr into H2. Molecular Physics 1990, 69, (1), 147-159. [PDF]

183. Feng, P. Y.; Balasubramanian, K.; Kaufman, J. J.; Koski, W. S., Energy-Transfer in Collisions of I+ with Xe. Physical Review A 1990, 42, (11), 6428-6435. [PDF]

182. Balasubramanian, K., Two Colorful Applications of the PPP Method. International Journal of Quantum Chemistry 1990, 37, (4), 449-463. [PDF]

181. Liu, X. Y.; Balasubramanian, K.; Munk, M. E., Computational Techniques for Vertex Partitioning of Graphs. Journal of Chemical Information and Computer Sciences 1990, 30, (3), 263-269. [PDF]

180. Liu, X. Y.; Balasubramanian, K., Computer Generation of Character Tables of Generalized Wreath Product Groups. Journal of Computational Chemistry 1990, 11, (5), 589-602. [PDF]

179. Balasubramanian, K., Computer-Generation of Distance Polynomials of Graphs. Journal of Computational Chemistry 1990, 11, (7), 829-836. [PDF]

178. Balasubramanian, K., Recent Developments in Tree-Pruning Methods and Polynomials For Cactus Graphs and Trees. Journal of Mathematical Chemistry 1990, 4, 89-102. [PDF]

177. Balasubramanian, K., In Spectrocopic Properties of Very Heavy Molecules, 45th International Symposium on Molecular Spectroscopy, Columbus OH, June, 1990; Rao, K. N., Ed. Ohio State University: Columbus OH, 1990.

176. Balasubramanian, K., Recent Chemical Applications of Computational Combinatorics and Graph Theory. In Computational Chemical Graph Theory,, King, R. B., D. H. Rouvray Ed. Nova Press: NJ, 1990; pp 67-104. [PDF]

175. Balasubramanian, K., Electronic-Structure and Reactivities of Semiconductor and Transition-Metal Clusters. Abstracts of Papers of the American Chemical Society 1989, 198, 151-PHYS.

174. Balasubramanian, K Electronic states of dimeric gallium (Ga2) Journal of Physical Chemistry 1989, 93 (26), 8388-8388 DOI: 10.1021/j100363a027 [PDF]

173. Balasubramanian, K., Geometries and Bond Energies of GaHn and GaHn+ (n=1-3). Chemical Physics Letters 1989, 164, (2-3), 231-236. [PDF]

172. Balasubramanian, K.; Feng, P. Y., The Ionization-Potentials of Agx, Aux, and Binding-Energies of Agx, Aux, Aux+, Agx+ (x=1-4) Chemical Physics Letters 1989, 159, (5-6), 452-458. [PDF]

171. Balasubramanian, K.; Wang, J. Z., Spectroscopic Properties and Potential Energy Curves of 36 Electronic States of ZrH. Chemical Physics Letters 1989, 154, (6), 525-530. [PDF]

170. Wang, J. Z.; Balasubramanian, K., Spectroscopic Properties and Potential-Energy Curves for 27 Electronic States of TcH. Journal of Molecular Spectroscopy 1989, 138, (1), 204-221. [PDF]

169. Li, J. Q.; Balasubramanian, K., Spectroscopic Properties and Potential-Energy Curves of I2 and I2+. Journal of Molecular Spectroscopy 1989, 138, (1), 162-180. [PDF]

168. Feng, P. Y.; Balasubramanian, K., The Low-Lying Electronic States of Indium Trimer. Chemical Physics 1989, 138, (1), 89-98. [PDF]

167. Balasubramanian, K.; Nannegari, V., Spectroscopic Constants and Potential-Energy Curves for 16 Electronic States of AsH. Journal of Molecular Spectroscopy 1989, 138, (2), 482-496. [PDF]

166. Balasubramanian, K.; Li, J. Q., Spectroscopic Properties and Potential-Energy Curves of Sb2. Journal of Molecular Spectroscopy 1989, 135, (1), 169-187. [PDF]

165. Kim, G. B.; Balasubramanian, K., Spectroscopic Properties and Potential Energy Curves of GaH. Journal of Molecular Spectroscopy 1989, 134, (2), 412-420. [PDF]

164. Balasubramanian, K.; Wang, J. Z., Spectroscopic Properties and Potential-Energy Curves of 29 Electronic States of YH. Journal of Molecular Spectroscopy 1989, 133, (1), 82-89. [PDF]

163. Balasubramanian, K., Relativity and Chemical Bonding. Journal of Physical Chemistry 1989, 93, (18), 6585-6596. [PDF]

162. Balasubramanian, K.; Liao, D. W., Spectroscopic Properties of Low-Lying Electronic States of Rh2. Journal of Physical Chemistry 1989, 93, (10), 3989-3992. [PDF]

161. Balasubramanian, K.; Ravimohan, C., Potential-Energy Surfaces for Nb + H2 Reaction. Journal of Physical Chemistry 1989, 93, (11), 4490-4494. [PDF]

160. Balasubramanian, K.; Liao, M. Z., Electronic States and Potential Energy Surfaces of AgH2 - Comparison with AuH2. Journal of Physical Chemistry 1989, 93, (1), 89-94. [PDF]

159. Balasubramanian, K., Electronic states of dimeric gallium (Ga2) [Erratum to document cited in CA105(26):234589n]. Journal of Physical Chemistry 1989, 93, (26), 8388-8388. [PDF]

158. Balasubramanian, K.; Feng, P. Y.; Liao, M. Z., Geometries and Energy Separations of 14 Electronic States of Au4. Journal of Chemical Physics 1989, 91, (6), 3561-3570. [PDF]

157. Das, K. K.; Balasubramanian, K., Potential-Energy Surfaces for NbH2+ and MoH2+. Journal of Chemical Physics 1989, 91, (10), 6254-6267. [PDF]

156. Balasubramanian, K., Ten Low-Lying Electronic States of Pd3. Journal of Chemical Physics 1989, 91, (1), 307-313. [PDF]

155. Balasubramanian, K.; Wang, J. Z., Potential-Energy Surfaces for Tc + H2 and Ru + H2 Reactions. Journal of Chemical Physics 1989, 91, (12), 7761-7771. [PDF]

154. Das, K. K.; Balasubramanian, K., Potential Energy Surfaces for YH2+ and ZrH2+. Journal of Chemical Physics 1989, 91, (4), 2433-2442. [PDF]

153. Balasubramanian, K., The Singlet-Triplet Splittings in AsH2+, SbH2+, and BiH2+ and Bond-Energies and Ionization-Potentials of AsH2. Journal of Chemical Physics 1989, 91, (4), 2443-2451. [PDF]

152. Balasubramanian, K., Spectroscopic Properties and Potential-Energy Curves for Heavy P-Block Diatomic Hydrides, Halides, and Chalconides. Chemical Reviews 1989, 89, (8), 1801-1840. [PDF]

151. Hosoya, H.; Balasubramanian, K., Exact Dimer Statistics and Characteristic-Polynomials of Cacti Lattices. Theoretica Chimica Acta 1989, 76, (5), 315-329. [PDF]

150. Balasubramanian, K., Electronic Structure of Coinage Metal Clusters. Theochem-Journal of Molecular Structure 1989, 202, 291-313. [PDF]

149. Millar, P. S.; Warwar, G.; Wisoff, P. J.; Sauerbrey, R.; Balasubramanian, K., Electron-Beam Excitation of Rare-Gas Alkali Ionic Excimers. Applied Physics Letters 1989, 55, (21), 2176-2178. [PDF]

148. Balasubramanian, K., Applications of Edge Colorings of Graphs and Characteristic-Polynomials to Spectroscopy and Quantum Chemistry. Theochem-Journal of Molecular Structure 1989, 185, 229-248. [PDF]

147. Chapman, D. A.; Balasubramanian, K.; Lin, S. H.; Kaufman, J. J.; Hariharan, P. C.; Koski, W. S., Transition Moments for Energy Transfers in Ar-Cl+ Collisions. Physical Review A1989, 39, (9), 4428-4431. [PDF]

146. Hosoya, H.; Balasubramanian, K., Computational Algorithms for Matching Polynomials of Graphs from the Characteristic Polynomials of Edge-Weighted Graphs. Journal of Computational Chemistry 1989, 10, (5), 698-710. [PDF]

145. Liu, X. Y.; Balasubramanian, K., Computer Generation of Edge Groups and Edge Colorings of Graphs. Journal of Computational Chemistry 1989, 10, (1), 1-13. [PDF]

144. Liu, X. Y.; Balasubramanian, K., Computer Generation of the Character Tables of the Symmetric Groups (Sn). Journal of Computational Chemistry 1989, 10, (3), 417-425. [PDF]

143. Balasubramanian, K., Reduced Cycle Indices and Their Applications in Enumeration of NMR Signals and Equivalence Classes. Journal of Mathematical Chemsitry 1989, 3, 227-232. [PDF]

142. Balasubramanian, K., Characteristic Polynomials of Spirographs. Journal of Mathematical Chemistry, 1989, 3, 147-159. [PDF]

141. Balasubramanian, K., In Mathematical and Computational Applications to Fullerenes, The Third International Mathematical Chemistry Conference, Galveston, Texas, March 5-9, 1989; Galveston, Texas, 1989. [PDF]

140. Balasubramanian, K., In Electronic Properties of Metal Clusters and Their Reacivities, 29th Sanibel Symposia, Ponce de Leon Convention Center, St. Augustine, Florida, April 1-8, 1989; Zerner, M. C.; Ohrn, Y., Eds. Ponce de Leon Convention Center, St. Augustine, Florida, 1989. [PDF]

139. Balasubramanian, K., Chemical Applications of Computational Graph-Theory. Abstracts of Papers of the American Chemical Society 1988, 196, 12-COMP.

138. Balasubramanian, K., Enumeration of the Isomers of the Gallium Arsenide Clusters (GamAsn). Chemical Physics Letters 1988, 150, (1-2), 71-77. [PDF]

137. Balasubramanian, K.; Feng, P. Y., The Electronic States of Ga3. Chemical Physics Letters 1988, 146, (1-2), 155-161. [PDF]

136. Balasubramanian, K.; Ravimohan, C., Electronic States and Potential Energy Surfaces of YH2. Chemical Physics Letters 1988, 145, (1), 39-43. [PDF]

135. Balasubramanian, K., Spectroscopic Properties and Potential-Energy Curves of SnCl - Comparison with PbCl. Journal of Molecular Spectroscopy 1988, 132, (1), 280-283. [PDF]

134. Balasubramanian, K.; Li, J. Q., Spectroscopic Properties and Potential-Energy Surfaces of GeH. Journal of Molecular Spectroscopy 1988, 128, (2), 413-426. [PDF]

133. Balasubramanian, K.; Liao, M. Z., Electronic States and Potential Energy Surfaces of Gold and Silver Trimers. Chemical Physics 1988, 127, (1-3), 313-324. [PDF]

132. Balasubramanian, K., Theoretical Study of Spectroscopic Properties of PbCl. Journal of Molecular Spectroscopy 1988, 127, (1), 97-103. [PDF]

131. Balasubramanian, K., CASSCF/CI Calculations on Electronic States of Br2 and Br2+. Chemical Physics 1988, 119, (1), 41-50. [PDF]

130. Balasubramanian, K.; Liao, D. W., Electronic States and Potential Energy Surfaces of RhH2. Journal of Physical Chemistry 1988, 92, (22), 6259-6264. [PDF]

129. Balasubramanian, K.; Liao, M. Z., Electronic States and Potential Energy Surfaces of AuH2. Journal of Physical Chemistry 1988, 92, (2), 361-364. [PDF]

128. Balasubramanian, K.; Liao, M. Z., Electronic States and Potential-Energy Surfaces of SeH2 and SeH2+. Journal of Physical Chemistry 1988, 92, (16), 4595-4599. [PDF]

127. Balasubramanian, K., Relativistic Configuration Interaction Calculations for Polyatomics - Applications to PbH2, SnH2 and GeH2. Journal of Chemical Physics 1988, 89, (9), 5731-5738. [PDF]

126. Balasubramanian, K., Spectroscopic Properties of 41 Electronic States of Pd2. Journal of Chemical Physics 1988, 89, (10), 6310-6315. [PDF]

125. Chapman, D. A.; Li, J. Q.; Balasubramanian, K.; Lin, S. H., Theoretical-Study of Electric Dipole and Transition Moments of GeH, SnH, and PbH. Journal of Chemical Physics1988, 88, (6), 3826-3833. [PDF]

124. Balasubramanian, K.; Feng, P. Y.; Liao, M. Z., Electronic States and Potential Energy Surfaces of PdH2- Comparison with PtH2. Journal of Chemical Physics 1988, 88, (11), 6955-6961. [PDF]

123. Balasubramanian, K.; Liao, D. W., Electronic States and Potential Energy Surfaces of RhH. Journal of Chemical Physics 1988, 88, (1), 317-321. [PDF]

122. Balasubramanian, K.; Li, J. Q., Spectroscopic Properties and Potential-Energy Surfaces of In2. Journal of Chemical Physics 1988, 88, (8), 4979-4986. [PDF]

121. Balasubramanian, K., Computer Generation of NMR Signal and Intensity Patterns. Journal of Magnetic Resonance 1988, 77, (1), 33-39. [PDF]

120. Balasubramanian, K., Graph Edge Colorings and Their Chemical Applications. Theoretica Chimica Acta 1988, 74, (2), 111-122. [PDF]

119. Chapman, D. A.; Balasubramanian, K.; Lin, S. H., Theoretical Study of the Negative Ions of HBr and HI. Physical Review A 1988, 38, (12), 6098-6106. [PDF]

118. Balasubramanian, K.; Feng, P. Y.; Kaufman, J. J.; Hariharan, P. C.; Koski, W. S., Energy-Transfer in Ar-Cl+ Collisions. Physical Review A 1988, 37, (9), 3204-3210. [PDF]

117. Balasubramanian, K.; Liu, X. Y., Spectra and Characteristic Polynomials of Polyhedral Clusters. International Journal of Quantum Chemistry 1988, 22, (S), 319-328. [PDF]

116. Balasubramanian, K., Relativistic CASSCF/CI Calculations - Applications to Transition-Metal Dihydrides. International Journal of Quantum Chemistry 1988, 22, (S), 465-476.[PDF]

115. Balasubramanian, K.; Liu, X. Y., Computer Generation of Spectra of Graphs - Applications to C60 Clusters and Other Systems. Journal of Computational Chemistry 1988, 9, (4), 406-415. [PDF]

114. Balasubramanian, K., Computer-Generation of Characteristic-Polynomials of Edge-Weighted Graphs, Heterographs, and Directed-Graphs. Journal of Computational Chemistry1988, 9, (3), 204-211. [PDF]

113. Balasubramanian, K., Tree Pruning Method and Lattice Statistics on Bethe Lattices. Journal of Mathematical Chemistry, 1988, 2, 69-82. [PDF]

112. Balasubramanian, K.; Liao, M. Z.; Lin, S. H., CASSCF/CI Calculations of Potential-Energy Surfaces of He3+ and He2+. Chemical Physics Letters 1987, 142, (5), 349-353. [PDF]

111. Balasubramanian, K.; Liao, M. Z.; Han, M., Theoretical Investigation of Electronic States of SeH and SeH+. Chemical Physics Letters 1987, 139, (6), 551-557. [PDF]

110. Balasubramanian, K., Relativistic Calculations of Electronic States of SnS. Chemical Physics Letters 1987, 139, (3-4), 262-266. [PDF]

109. Balasubramanian, K.; Liao, M. Z.; Lin, S. H., Relativistic Configuration Interaction Calculations for Electronic States of KrHe+. Chemical Physics Letters 1987, 138, (1), 49-54. [PDF]

108. Balasubramanian, K., Electronic States and Potential Energy Surfaces of ScH2. Chemical Physics Letters 1987, 135, (3), 288-293. [PDF]

107. Balasubramanian, K., CASSCF/CI Calculations on Si4 and Si4+. Chemical Physics Letters 1987, 135, (3), 283-287. [PDF]

106. Balasubramanian, K.; Ravimohan, C., Theoretical Investigation of Spectroscopic Properties of Te2. Journal of Molecular Spectroscopy 1987, 126, (1), 220-230. [PDF]

105. Balasubramanian, K.; Tanpipat, N.; Bloor, J. E., Spectroscopic Properties of SbH. Journal of Molecular Spectroscopy 1987, 124, (2), 458-463. [PDF]

104. Balasubramanian, K., Relativistic Quantum Calculations of Spectroscopic Properties of Ge2. Journal of Molecular Spectroscopy 1987, 123, (1), 228-236. [PDF]

103. Balasubramanian, K., Theoretical Investigation of Spectroscopic Properties of As2. Journal of Molecular Spectroscopy 1987, 121, (2), 465-473. [PDF]

102. Chapman, D. A.; Balasubramanian, K.; Lin, S. H., A Theoretical-Study of Spectroscopic Properties and Transition Moments of HBr. Chemical Physics 1987, 118, (3), 333-343. [PDF]

101. Liao, M. Z.; Balasubramanian, K.; Chapman, D.; Lin, S. H., Abinitio Configuration Interaction Calculations for five States of ArHe+. Chemical Physics 1987, 111, (3), 423-429. [PDF]

100. Balasubramanian, K., Low-Lying Electronic States of Se2. Journal of Physical Chemistry 1987, 91, (20), 5166-5169. [PDF]

99. Balasubramanian, K.; Liao, M. Z.; Lin, S. H., Theoretical Investigation of the Electronic States of He4+. Journal of Physical Chemistry 1987, 91, (23), 5836-5837. [PDF]

98. Balasubramanian, K., CASSCF/Cl Calculations of Electronic States and Potential-Energy Surfaces of PtH2. Journal of Chemical Physics 1987, 87, (5), 2800-2805. [PDF]

97. Balasubramanian, K., Electronic-Structure of GaAs2. Journal of Chemical Physics 1987, 87, (6), 3518-3521. [PDF]

96. Balasubramanian, K.; Feng, P. Y.; Liao, M. Z., Relativistic Calculations of Electronic States of PdH. Journal of Chemical Physics 1987, 87, (7), 3981-3985. [PDF]

95. Chapman, D. A.; Balasubramanian, K.; Lin, S. H., Electronic Dipole and Transition Moments from the Relativistic CI Wave-Function - Application to Hl. Journal of Chemical Physics 1987, 87, (9), 5325-5328. [PDF]

94. Balasubramanian, K., Electronic States of Pt2. Journal of Chemical Physics 1987, 87, (11), 6573-6578.[PDF]

93. Balasubramanian, K.; Han, M.; Liao, M. Z., Relativistic Calculations of Electronic States of TeH. Journal of Chemical Physics 1987, 86, (9), 4979-4981.[PDF]

92. Balasubramanian, K.; Liao, M. Z., CASSCF/Cl Calculations of Low-Lying States and Potential-Energy Surfaces of Au3. Journal of Chemical Physics 1987, 86, (10), 5587-5590.[PDF]

91. Balasubramanian, K., Electronic States of GaAs and GaAs+. Journal of Chemical Physics 1987, 86, (6), 3410-3413.[PDF]

90. Balasubramanian, K.; Pitzer, K. S., Relativistic Quantum Chemistry. In Advances in Chemical Physics, Rice, S. A., Ed. Wiley Interscience: New York, 1987; Vol. 67, pp 287-319.[PDF]

89. Balasubramanian, K., Computational Graph Theory. In Studies in Physical and Theoretical Chemistry,, King, R. B., D. H. Rouvray, Ed. Elsevier: Amsterdam, 1987; Vol. 54, pp 514-528. [PDF]

88. Balasubramanian, K., Symmetry in Chemsitry and Indian Religions. In Symmetry in Cultural Context: An Interdisciplinary Workshop, Nagy, D., Ed. Arizona State University, Tempe, AZ, 1987; 1, 12-15. [PDF]

87. Balasubramanian, K., Relativistic Quantum Calculations of Molecules Containing very heavy atoms. In American Conference on Theoretical Chemistry, Gull Lake, MN, 1987.

86. Balasubramanian, K.; Kaufman, J. J.; Hariharan, P. C.; Koski, W. S., Energy Transfer in Br+-Kr Collisions. Chemical Physics Letters 1986, 129, (2), 165-171. [PDF]

85. Balasubramanian, K., On the Low-Lying Electronic States of BiF. Chemical Physics Letters 1986, 127, (4), 324-329. [PDF]

84. Balasubramanian, K., CASCF/CI Calculations of Low-Lying States of SnH2. Chemical Physics Letters 1986, 127, (6), 585-589. [PDF]

83. Balasubramanian, K., CASSCF/CI Calculations of Low-Lying States and Potential-Energy Surfaces of Si3. Chemical Physics Letters 1986, 125, (4), 400-406. [PDF]

82. Balasubramanian, K., Relativistic Quantum Calculations of Spectroscopic Properties of BiH. Journal of Molecular Spectroscopy 1986, 115, (2), 258-268. [PDF]

81. Balasubramanian, K., Relativistic Configuration Interaction Calculation of Low-Lying States of BiH+. Journal of Physical Chemistry 1986, 90, (6), 1043-1045. [PDF]

80. Balasubramanian, K., Electronic States of Ga2. Journal of Physical Chemistry 1986, 90, (26), 6786-6790. [PDF]

79. Balasubramanian, K., Relativistic Calculations of Electronic States and Potential-Energy Surfaces of Sn3. Journal of Chemical Physics 1986, 85, (6), 3401-3406. [PDF]

78. Balasubramanian, K.; McLean, A. D., The Singlet Triplet Energy Separation in Silylene. Journal of Chemical Physics 1986, 85, (9), 5117-5119. [PDF]

77. Balasubramanian, K., Electronic States of PbS. Journal of Chemical Physics 1986, 85, (3), 1443-1446. [PDF]

76. Balasubramanian, K. In Spectroscopic Constants of Molecules Containing Very Heavy Atoms, Gordon Conference on High Temperature Chemistry Brewster Academy, NH, Jul 21-25 1986; Hildenbrand, D., Ed. Gordon Research Conference: Brewster Academy, NH, 1986.

75. Hotoka, M.; Roos, B.; Balasubramanian, K.; Semo, N.; Sharma, R. B.; Koski, W. S., On the Collisions of Rare Gas Atoms with Halogen Positive Ions. In Advances in Chemical Reaction Dynamics, Rentzepis, P. M.; Capellos, C., Eds. E. Reidel: Holland, 1986; pp 135-143. [PDF]

74. Balasubramanian, K., On Graph Theoretical Polynomials in Chemistry. In Mathematical and Computational Concepts in Chemistry, Trinastic, N. ED.,. Ellis Horwood Ltd.: NJ, 1986; 20-33. [PDF]

73. Chapman, D. A.; Balasubramanian, K.; Lin, S. H., Relativistic Configuration Interaction Calculations on the Low-Lying Electronic States of HI. Chemical Physics Letters 1985, 118, (2), 192-196. [PDF]

72. Balasubramanian, K., Relativistic Configuration Interaction Calculations of the Low-Lying States of BiH. Chemical Physics Letters 1985, 114, (2), 201-204. [PDF]

71. Balasubramanian, K., Relativistic Calculations of the Spectroscopic Properties of Low-Lying States of ICl. Journal of Molecular Spectroscopy 1985, 110, (2), 339-346. [PDF]

70. Balasubramanian, K., Relativistic Configuration Interaction Calculations of the Low-Lying States of ICl and ICl+. Chemical Physics 1985, 95, (2), 225-234. [PDF]

69. Balasubramanian, K., Applications of Combinatorics and Graph Theory to Spectroscopy and Quantum Chemistry. Chemical Reviews 1985, 85, (6), 599-618. [PDF]

68. Balasubramanian, K., Relativistic Configuration-Interaction Calculations of Low-Lying States of PbF. Journal of Chemical Physics 1985, 83, (5), 2311-2315. [PDF]

67. Balasubramanian, K., Relativistic Configuration Interaction Calculations of the Low-Lying States of TlF. Journal of Chemical Physics 1985, 82, (8), 3741-3746. [PDF]

66. Balasubramanian, K.; Randic, M., Spectral Polynomials of Systems with General Interactions. International Journal of Quantum Chemistry 1985, 28, (4), 481-498. [PDF]

65. Balasubramanian, K., Computer-Assisted Enumeration of Walks and Self-Returning Walks on Chemical Graphs. Computers & Chemistry 1985, 9, (1), 43-52. [PDF]

64. Balasubramanian, K., Characteristic-Polynomials of Organic Polymers and Periodic Structures. Journal of Computational Chemistry 1985, 6, (6), 656-661. [PDF]

63. Balasubramanian, K.; Ramaraj, R., Computer Generation of King and Color Polynomials of Graphs and Lattices and Their Applications to Statistical Mechanics. Journal of Computational Chemistry 1985, 6, (5), 447-454. [PDF]

62. Ramaraj, R.; Balasubramanian, K., Computer-Generation of Matching Polynomials of Chemical Graphs and Lattices. Journal of Computational Chemistry 1985, 6, (2), 122-141. [PDF]

61. Kaufman, J. J.; Hariharan, P. C.; Koski, W. S.; Balasubramanian, K., Quantum Chemical and Other Theoretical Studies of Carcinogens, Their Metabolic Activation and Attack on DNA Constituents. Allen R. Lyss Press): 1985; p 263-275. [PDF]

60. Balasubramanian, K.; Pitzer, K. S. Relativistic quantum calculations of low-lying states of lead hydroxide 1984, https://www.osti.gov/biblio/6550633

59. Balasubramanian, K., Information Theoretic Indexes for Characterization of Chemical Structures - Bonchev,D. Journal of the American Chemical Society 1984, 106, (6), 1893-1894. [PDF]

58. Balasubramanian, K.; Pitzer, K. S., Relativistic Quantum Calculations of Low-Lying States of SnH - Comparisons with the Electronic-Spectra of SnH and with the Properties of PbH. Journal of Molecular Spectroscopy 1984, 103, (1), 105-112. [PDF]

57. Balasubramanian, K.; Pitzer, K. S., Relativistic Quantum Calculations of Low-Lying States of Lead Hydride - Comparison with Experimental Spectra. Journal of Physical Chemistry 1984, 88, (6), 1146-1148. [PDF]

56. Balasubramanian, K.; Dyke, T. R., Nuclear-Spin Species, Statistical Weights, and Correlation Tables for Weakly Bound Van der waals Complexes. Journal of Physical Chemistry1984, 88, (20), 4688-4692. [PDF]

55. Balasubramanian, K., Relativistic Configuration-Interaction Calculations of Low-Lying States of SnO+, PbO+, PbS+, and PbSe+ - Comparison with the Photoelectron-Spectra of SnO. Journal of Physical Chemistry 1984, 88, (23), 5759-5763. [PDF]

54. Balasubramanian, K.; Pitzer, K. S., Electron structure calculations including CI for ten low lying states of Pb2 and Sn2. Partition function and dissociation energy of Sn2-Erratum.Journal of Chemical Physics 1984, 80, (1), 592-592. [PDF]

53. Balasubramanian, K., The Use of Frames Method for the Characteristic-Polynomials of Chemical Graphs. Theoretica Chimica Acta 1984, 65, (1), 49-58. [PDF]

52. Balasubramanian, K., Comments on Group Theoretical-Analysis of NQR Spectra of Crystals. Theoretica Chimica Acta 1984, 64, (5), 415-419. [PDF]

51. Balasubramanian, K., Recent Applications of Group Theoretical Generators to Chemical Physics. Croatica Chemica Acta 1984, 57, (6), 1525-1552. [PDF]

50. Balasubramanian, K., Computer-Generation of the Characteristic-Polynomials of Chemical Graphs. Journal of Computational Chemistry 1984, 5, (4), 387-394. [PDF]

49. Balasubramanian, K., Relativistic Configuration Interaction-Applications to Molecules Containing Very Heavy Atoms. In Sixth West Coast Theoretical Chemsitry Conference, Los Alamos National Lab, : Los Alamos MN, 1984.

48. Balasubramanian, K.; Pitzer, K. S., Relativistic Molecular-Structure Calculations Including CI for Several Low-Lying States of SnO. Chemical Physics Letters 1983, 100, (3), 273-276. [PDF]

47. Balasubramanian, K.; Pitzer, K. S., Relativistic Configuration-Interaction Calculations for Several Low-Lying States of PbO - Comparison with Chemi-Luminescent Spectra.Journal of Physical Chemistry 1983, 87, (24), 4857-4861. [PDF]

46. Balasubramanian, K.; Pitzer, K. S., Electron-Structure Calculations Including CI for Ten Low-Lying States of Pb2 and Sn2 - Partition-Function and Dissociation-Energy of Sn2.Journal of Chemical Physics 1983, 78, (1), 321-327. [PDF]

45. Balasubramanian, K., Operator and Algebraic Methods for NMR-Spectroscopy .2. NMR Projection Operators and Spin Functions. Journal of Chemical Physics 1983, 78, (11), 6369-6376. [PDF]

44. Balasubramanian, K., Operator and Algebraic Methods for NMR-Spectroscopy .1. Generation of NMR Spin Species. Journal of Chemical Physics 1983, 78, (11), 6358-6368. [PDF]

43. Balasubramanian, K., Symmetry and Spectra of Graphs and Their Chemical Applications. In Studies in Physical and Theoretical Chem., Rouvray, D. H., R. B. King, Ed. Elsevier Science Publishers: Amsterdam, 1983; Vol. 28, pp 243-251. [PDF]

42. Balasubramanian., K., Group Theory of Non-rigid Molecules and its Applications. In Studies in Theoretical and Physical Cemistry, Serre, J., J. Maruani, Ed. Elsevier: Amsterdam, 1983; Vol. 23, pp 149-168. [PDF]

41. Balasubramanian, K., Computer-Generation of the Symmetry Elements of Non-Rigid Molecules. Journal of Computational Chemistry 1983, 4, (3), 302-307. [PDF]

40. Balasubramanian, K., Relativistic Computations of Molecules Containing Very Heavy Atoms. In Fifth West Coast Theoretical Chemistry Conference, Stanford Research Institute: Menlopark, CA, 1983. [PDF]

39. Balasubramanian, K.; Pitzer, K. S.; Strauss, H. L., Nuclear-Spin Statistics of Cubane and Icosahedral Borohydride Ions. Journal of Molecular Spectroscopy 1982, 93, (2), 447-449. [PDF]

38. Balasubramanian, K., Topological and Group Theoretical Analysis in Dynamic Nuclear Magnetic Resonance Spectroscopy. Journal of Physical Chemistry 1982, 86, (24), 4668-4674. [PDF]

37. Pitzer, K. S.; Balasubramanian, K., Properties of ten electronic states of diatomic lead from relativistic quantum calculations. Journal of Physical Chemistry 1982, 86, (16), 3068-3070. [PDF]

36. Christiansen, P. A.; Balasubramanian, K.; Pitzer, K. S., Relativistic Ab initio Molecular-Structure Calculations Including Configuration-Interaction with Application to Six States of TlH. Journal of Chemical Physics 1982, 76, (10), 5087-5092. [PDF]

35. Balasubramanian, K.; Randic, M., The Characteristic-Polynomials of Structures with Pending Bonds. Theoretica Chimica Acta 1982, 61, (4), 307-323. [PDF]

34. Balasubramanian, K., Computer-Assisted Enumeration of NMR Signals. Journal of Magnetic Resonance 1982, 48, (2), 165-177. [PDF]

33. Balasubramanian, K., Method for Constructing Isomerization-Reactions. International Journal of Quantum Chemistry 1982, 22, (2), 385-395. [PDF]

32. Balasubramanian, K., Symmetry Operators of Generalized Wreath-Products and Their Applications to Chemical Physics. International Journal of Quantum Chemistry 1982, 22, (5), 1013-1031. [PDF]

31. Balasubramanian, K., Symmetry Groups of Chemical Graphs. International Journal of Quantum Chemistry 1982, 21, (2), 411-418. [PDF] 24 (1).

30. Balasubramanian, K., Spectra of Chemical Trees. International Journal of Quantum Chemistry 1982, 21, (3), 581-590. [PDF]

29. Balasubramanian, K., Computer-Generation of Isomers. Computers & Chemistry 1982, 6, (2), 57-63. [PDF]

28. Balasubramanian, K., Computer-Generation of Nuclear-Spin Species and Nuclear-Spin Statistical Weights. Journal of Computational Chemistry 1982, 3, (1), 75-88. [PDF]

27. Balasubramanian, K.; RELATIVISTIC CONTRIBUTIONS TO THE SINGLET-TRIPLET SEPARATION IN METHYLENE 1981, [PDF] https://www.osti.gov/servlets/purl/1148370

26. Balasubramanian, K., An Algorithm for the Generation of Nuclear-Spin Species and Nuclear-Spin Statistical Weights. Journal of Computational Chemistry 1982, 3, (1), 69-74. [PDF]

25. Balasubramanain, K. Symmetry Operators of Wreath Products: Applications to Chemical Physics Proc SIAM J Mathematics, June 1981- LBL-12724 [PDF]

24. Balasubramanian, K., Generating-Functions for the Nuclear-Spin Statistics of Non-Rigid Molecules. Journal of Chemical Physics 1981, 75, (9), 4572-4585. [PDF]

23. Balasubramanian, K., A Method for Nuclear-Spin Statistics in Molecular Spectroscopy. Journal of Chemical Physics 1981, 74, (12), 6824-6829. [PDF]

22. Balasubramanian, K., Comments on Mcbrides Completion of Kroners Proof That Hydrogens of Benzene Are Homotopic. Theoretica Chimica Acta 1981, 59, (1), 91-93. [PDF]

21. Balasubramanian, K., The Combinatorics of Symmetry Adaptation. Theoretica Chimica Acta 1981, 59, (1), 47-54. [PDF]

20. Balasubramanian, K., The Combinatorics of Graphical Unitary Group-Approach to Many-Electron Correlation. Theoretica Chimica Acta 1981, 59, (3), 237-250. [PDF]

19. Balasubramanian, K. Chemical Applications of Discrete Mathematics 1981, Johns Hopkins University, Baltimore MD 21218�� [PDF]

18. Balasubramanian, K., Symmetry Simplifications of Space Types in Configuration-Interaction Induced by Orbital Degeneracy. International Journal of Quantum Chemistry 1981, 20, (6), 1255-1271. [PDF]

17. Balasubramanian, K., Operator Theoretic Tensor Methods for Chemical Applications. In SIAM National Conference on the Applications of Discrete Mathematics, Society for Industrial & Applied Mathematics: Troy NY, June 10-12, 1981. [PDF]

16. Balasubramanian, K., Group Theory & Operator Methods in NMR Spectroscopy. In Third West Coast Theoretical Chemistry Conference NASA Ames Research Center, Moffett Field, CA., 1981.

15. Balasubramanian, K., Graph Theoretical Characterization of NMR Groups, Nonrigid Nuclear-Spin Species and the Construction of Symmetry Adapted NMR Spin Functions.Journal of Chemical Physics 1980, 73, (7), 3321-3337. [PDF]

14. Balasubramanian, K., Symmetry Groups of Nonrigid Molecules as Generalized Wreath Products and Their Representations. Journal of Chemical Physics 1980, 72, (1), 665-677. [PDF]

13. Balasubramanian, K.; Yarkony, D. R., The Electronic-Structure of Polydiacetylenes - Cyclic Versus Linear-Models. Chemical Physics Letters 1980, 70, (2), 374-378. [PDF]

12. Balasubramanian, K.; Kaufman, J. J.; Koski, W. S.; Balaban, A. T., Graph Theoretical Characterization and Computer-Generation of Certain Carcinogenic Benzenoid Hydrocarbons and Identification of Bay Regions. Journal of Computational Chemistry 1980, 1, (2), 149-157. [PDF]

11. Balasubramanian, K. Maximal diagonal sums, Linear and Multilinear Algebra, 1979, 7:3, 249-251.

10. Balasubramanian, K., Open Problem: Enumerating Isomers. Annals New York Academy Sciences 1979, 319, 576-577. [PDF]

9. Balasubramanian,K. Constancy of functions restricted to a subset, Linear and Multilinear Algebra, 1979, 7:3, 253-255.

8. Balasubramanian, K., Enumeration of Stable Stereo and Position Isomers of Poly-substituted Alcohols. Annals New York Academy Sciences 1979, 319, 33-36. [PDF]

7. Balasubramanian, K., Enumeration of Internal-Rotation Reactions and Their Reaction Graphs. Theoretica Chimica Acta 1979, 53, (2), 129-146. [PDF]

6. Balasubramanian, K., Generalized Wreath Product Method for the Enumeration of Stereo and Position Isomers of Polysubstituted Organic-Compounds. Theoretica Chimica Acta 1979, 51, (1), 37-54. [PDF]

5. Balasubramanian, K. On equality of some elements in matrices. Linear Algebra and its Applications, 1978, 22, 35-138. [PDF]

4. Balasubramanian, K., Linear Algebraic Generalized Matrix and Matrix Inverse Techniques for Analysis and Balancing of Chemical Reactions and Chemical Equilibria. 1978, p10

3. Balasubramanian, K., Combinatorial Enumeration of Chemical Isomers. Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry 1978, 16, (12), 1094-1096. [PDF]

2. Balasubramanian, K, Combinatorial Enumeration of Chemical Isomers, Birla Institute of Technology & Science: Pilani, India, Thesis. 1977

1. Balasubramanian, K.; Mishra, S. R.; Nath, R., Concepts in Science. Birla Institute of Technology & Science: Pilani, India, 1977; p 612 [PDF].

 

 

Research Activity
  • Balasubramanian,Krishnan*. ELECTRONIC STRUCTURE OF SEMICONDUCTOR CLUSTERS. NSF-MPS(12/1/1998 - 11/30/2000).
  • Balasubramanian,Krishnan*. ELECTRONIC STRUCTURE OF TRANSITION OF METAL CLUSTERS. DOE-SAN FRANCISCO(7/1/1995 - 12/31/1998).
  • Balasubramanian,Krishnan*. ELECTRONIC STRUCTURE OF TRANSITION METAL CLUSTERS AND THEIR REACTIVITY. DOE(7/1/1995 - 6/30/2000).
  • Balasubramanian,Krishnan*. ELECTRONIC STRUCTURE OF SEMICONDUCTOR & MAIN GROUP CLUSTER. NSF-MPS(2/15/1995 - 1/31/1998).
  • Balasubramanian,Krishnan*. THEORETICAL STUDIES ON HALOGENATED HYDROCARBONS. JOHNS HOPKINS UNIV(6/15/1992 - 9/27/1992).
  • Balasubramanian,Krishnan*. ELECTRONIC STRUC OF SEMICONDUCTOR & HEAVY MAIN GROUP CLUS. NSF-MPS(5/1/1992 - 10/31/1995).
  • Balasubramanian,Krishnan*. ELECTRONIC STRUCTURE OF SEMICONDUCTOR & HEAVY GROUP CLUSTERS. NSF(1/1/1989 - 6/30/1992).
  • Balasubramanian,Krishnan*. ELECTRONIC STRUCTURE & REACTIVTIES OF TRANSITION METAL CLUST. DOE(7/1/1986 - 12/31/1995).
  • Balasubramanian,Krishnan*. SPECTROSCPC PROP & REACTIVES OF MOLECULES CONT. HEAVY ATOMS. NSF(4/15/1986 - 9/30/1989).
  • Balasubramanian,Krishnan*. TEACHER - SCHOLAR AWARD. DREYFUS FDN(11/27/1985 - 12/31/1992).
Teaching Website URL
https://sites.google.com/asu.edu/prof-krishnan-balasubramanian/teaching
Presentations

Graduate Level

  • Chemical Applications of Artificial Intelligence 
  • Chemical Applications of Graph Theory &  Combinatorics 
  • Bioinformatics, Computational Molecular similarity and Drug Design
  • Symmetry, Structure, and Spectroscopy
  • Quantum Chemistry I: Electronic Structure Theory
  • Quantum Chemistry II: Spectroscopy and Dynamics
  • Relativistic Quantum Chemistry
  • Computational Chemistry
  • Mathematical Chemistry
  • Chemical Applications of Group Theory

Undergraduate Level

  • Computers and Chemistry
  • Principles of Physical Chemistry I: Thermodynamics
  • Principles of Physical Chemistry II: Quantum Chemistry & Spectroscopy
  • Principles of Physical Chemistry III: Statistical Mechanics & Dynamics
  • General Chemistry

Popular Lectures & Topics

  • Chemical Applications of Artificial Intelligence
  • Applications of Artificial Intelligence to Medicinal and Biochemistry
  • Relativity and Chemical Bonding
  • Symmetry in Science, Art, Cultures & Religion
  • Computational Concepts in Arts & Sciences
  • Electronic Structure of Clusters
  • Mathematical Characterization of Fullerene Cages
  • Integration of Quantum Chemistry and Graph Theory for Structure Activity
  • Chemical Applications of Graph Theory
  • Applications of Graph Theory and Combinatorics to Spectroscopy & Quantum Chemistry
  • Combinatorics, Dynamic Stereochemistry, NMR & ESR.
  • Transition Metal Clusters and their Reactivity
  • Computational Predictive Toxicology
  • Relativistic Effects in Chemistry
  • Hierarchical Quantitative Structure Activity Relations for Toxicity & Property Predictions
  • Mathematical Characterization of Chemical Structures
  • Mathematical Polynomials in Chemistry
  • Combinatorial Enumeration of Chemical Isomers
  • Computational Actinide and Superheavy Element Chemistry
  • Chemical Applications of Group Theory
  • Computational Modeling of Uranium & Plutonium Corrosion
  • Mathematical Studies of Nanomaterials and Molecular Networks.
  • Graph Theory and Biological and phylogenetic Networks.

 

Honors / Awards
  • Honors & Awards
  • Two-Time Fulbright Research Award
  • Camille & Henry Dreyfus Teacher-Scholar
  •  Alfred P. Sloan Fellow
  • Award for Distinction in Graduate Teaching
  •  Joint Prize of Minister of Education, Poland
  • Birla Institute of Technology & Science Distinguished Alumnus Award 
  •  Phi Kappa Phi & Alpha Chi Sigma
  • 740 publications, 2 books
  • Robert S. Mulliken Lecturer 
  • Lawrence Livermore Distinguished Service Award
  •  Padmashri Gemini Ganesan Centennial Lecture 
  • Rev. Yeddanapalli Memorial Award
  •  Titular Member of International Academy of Mathematical Chemistry 
  • Elected Member EU Academy of Sciences.
Editorships
  • Editorships
  • Associate Editor, Current Topics in Medicinal Chemistry
  • Regional Editor (North America) Letters in Drug Design & Discovery, International Life Sciences Publishers
  • Journal of Mathematical Chemistry, Editorial Board
  • Symmetry,  Editorial Board
  • Artificial Intelligence in Chemistry, Editorial Board
  • Computer-aided Drug Design, Editorial Board
  • Journal of Mathematical Sciences & Modeling, Editorial Board
  • Biomedicines,  Editorial Board
  • Journal of Computing Letters,  Editorial Board
  • Journal of Zhejiang University of Science,  Editorial Board
  • EC Pharmacology and Toxicology, Editorial Board
Professional Associations
  • International Academy of Mathematical Chemistry
  • EU Academy of Sciences
  • New York Academy of Sciences
  • Alpha Chi Sigma
  • Phi Kappa Phi
  • Mathematical Association of America
  • https://sites.google.com/asu.edu/prof-krishnan-balasubramanian/honors-awards-editorship
Work History

Distinguished Professor, Birla Institute of Technology & Science,

Distinguished Adj. Professor, SRM University,

Retired Scientist, Lawrence Livermore Berkeley Labs, CA

Past Step VI Adj Prof., University of California, Davis, CA

Past Adj Prof., California State University, East Bay, CA

Past Adj Prof.,  University of Houston, Houston, TX

Service
  • National Academy of Sciences Advisory Panel to the Chemical Sciences Division of the Air Force Office of Scientific Research 
  • US Department of Energy Laboratory Technology Transfer Panel
  • US Department of Energy Environmental Management Science Program Advisory Panel.
  • Distinguished Panelist, US Environmental Protection Agency (EPA)
  • National Science Foundation; 
  • NATO
  •  Petroleum Research Fund
  • Office of Naval Research
  • NRC/NAS Panels
  • Austrian Science Foundation
  • The Czech Science Foundation
  • National Institute of Health
  • US Environmental Protection Agency
  • Qatar National Research Fund (QNRF)
Expertise Areas
Artificial Intelligence
Artificial Neural Networks
Computational Biology
Computational Mathematics
Computational Modeling
Discrete Mathematics
Drug Delivery
Nanoscience
Nanoscience and Material Physics
Physical Chemistry
Quantitative Systems Biology
Theoretical Chemistry
Theoretical Mathematics
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