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The Journal of Chemical Physics|September 7, 2015
Seniority number description of potential energy surfaces: Symmetric dissociation of water, N2, C2, and Be2Laimutis Bytautas, Gustavo E Scuseria, Klaus Ruedenberg
The Journal of Physical Chemistry. A|December 20, 2011
Accurate potential energy curve for B2. Ab initio elucidation of the experimentally elusive ground state rotation-vibration spectrumLaimutis Bytautas, Nikita Matsunaga, Gustavo E Scuseria, et al.
The Journal of Physical Chemistry. A|January 24, 2024
Antiaromatic Molecules as Magnetic Couplers: A Computational QuestSuranjan Shil, Debojit Bhattacharya, Anirban Misra, et al.
The Journal of Chemical Physics|November 6, 2007
Accurate ab initio potential energy curve of F2. I. Nonrelativistic full valence configuration interaction energies using the correlation energy extrapolation by intrinsic scaling methodLaimutis Bytautas, Takeshi Nagata, Mark S Gordon, et al.
Physical Chemistry Chemical Physics : PCCP|May 13, 2015
Borazine: spin blocker or not?Debojit Bhattacharya, Suranjan Shil, Anirban Misra, et al.
The Journal of Physical Chemistry. A|November 5, 2016
Toward Molecular Magnets of Organic Origin via Anion-π Interaction Involving m-Aminyl Diradical: A Theoretical StudyDebojit Bhattacharya, Suranjan Shil, Anirban Misra, et al.
The Journal of Chemical Physics|August 3, 2011
Seniority and orbital symmetry as tools for establishing a full configuration interaction hierarchyLaimutis Bytautas, Thomas M Henderson, Carlos A Jiménez-Hoyos, et al.
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