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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 107, 2009 - Issue 8-12: A Special Issue in Honour of Professor Henry F. Schaefer
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Invited Articles

Group theoretical treatment of Jahn–Teller versus spin-orbit effects on geometries, rovibronic levels and nuclear spin species of bismuth and antimony clusters

Krishnan Balasubramanian Department of Mathematics and Computer Science, California State University, East Bay, Hayward, CA. Chemistry and Material Science Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550 and Glenn T Seaborg Center, Lawrence Berkeley Laboratory, University of California, Berkeley, CA 94720Correspondence[email protected]:925-422-4984
Pages 797-807 | Received 09 Oct 2008, Accepted 26 Nov 2008, Published online: 07 Oct 2010

Citations (16)

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Read on this site (3)

Micheal Arockiaraj, Joseph Clement, Daniel Paul & Krishnan Balasubramanian. (2021) Relativistic distance-based topological descriptors of Linde type A zeolites and their doped structures with very heavy elements. Molecular Physics 119:3.
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Krishnan Balasubramanian. (2016) Character tables of n-dimensional hyperoctahedral groups and their applications. Molecular Physics 114:10, pages 1619-1633.
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Martin Head-Gordon. (2010) Editorial. Molecular Physics 108:13, pages 1677-1677.
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Articles from other publishers (13)

Pooja Sharma, Prabhat Ranjan & Tanmoy Chakraborty. (2023) Study of Tl-based perovskite materials TlZX3 (Z = Ge, Sn, Be, Sr; X = Cl, Br, I) for application in scintillators: DFT and TD-DFT approach. Chemical Physics Impact 7, pages 100344.
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Prabhat Ranjan, Krishnan Balasubramanian & Tanmoy Chakraborty. (2023) DFT investigation of structural and optoelectronic properties of glassy chalcogenide CuXY 2 (X = Sb, Bi; Y = S, Se, Te) molecules . Journal of Physics D: Applied Physics 56:40, pages 405306.
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K. Balasubramanian. (2022) Relativistic Versus Jahn-Teller Effects in Tantalum and Tungsten Clusters. Inorganica Chimica Acta, pages 121194.
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Krishnan Balasubramanian. (2021) Combinatorial enumeration of stereo, chiral and position isomers of polysubstituted halocarbons: applications to machine learning of proton and 35Cl NMR spectroscopy of halocarbons. Theoretical Chemistry Accounts 140:5.
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Micheal Arockiaraj, Sandi Klavžar, S. Ruth Julie Kavitha, Shagufa Mushtaq & Krishnan Balasubramanian. (2020) Relativistic structural characterization of molybdenum and tungsten disulfide materials. International Journal of Quantum Chemistry 121:5.
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Krishnan Balasubramanian. (2020) Nonrigid water octamer: Computations with the 8‐cube . Journal of Computational Chemistry 41:29, pages 2469-2484.
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Krishnan Balasubramanian. (2019) Computations of Colorings 7D‐Hypercube's Hyperplanes for All Irreducible Representations. Journal of Computational Chemistry 41:7, pages 653-686.
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Krishnan Balasubramanian. (2019) Computational combinatorics of hyperplane colorings of 6D-hypercube for all irreducible representations and applications. Journal of Mathematical Chemistry 58:1, pages 204-272.
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Isaac L. Huidobro-Meezs & Emilio Orgaz. (2017) Investigation of the Spin Competition in the Al 6 Cluster . The Journal of Physical Chemistry C 121:21, pages 11872-11879.
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J. Akola, N. Atodiresei, J. Kalikka, J. Larrucea & R. O. Jones. (2014) Structure and dynamics in liquid bismuth and Bi n clusters: A density functional study . The Journal of Chemical Physics 141:19.
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Attila Kovács, Rudy J. M. Konings, Dénes Szieberth & Balázs Krámos. (2014) Study of the An–Cl bond contraction in actinide trichlorides. Structural Chemistry 25:3, pages 991-996.
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Krishnan Balasubramanian. (2013) 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 52:2, pages 703-728.
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Tao Zeng, Dmitri G. Fedorov, Michael W. Schmidt & Mariusz Klobukowski. (2011) Effects of Spin–Orbit Coupling on Covalent Bonding and the Jahn–Teller Effect Are Revealed with the Natural Language of Spinors. Journal of Chemical Theory and Computation 7:9, pages 2864-2875.
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