Theoretical study of the extremely small torsional barriers of thiophenol in the ground and the first excited electronic states
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
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1. Bond analysis in meta- and para-substituted thiophenols: overlap descriptors, local mode analysis, and QTAIM;Journal of Molecular Modeling;2024-04-19
2. Assessing the Performances of CASPT2 and NEVPT2 for Vertical Excitation Energies;Journal of Chemical Theory and Computation;2022-03-25
3. Full-dimensional three-state potential energy surfaces and state couplings for photodissociation of thiophenol;The Journal of Chemical Physics;2019-10-21
4. Photodissociation Dynamics of Ortho-Substituted Thiophenols at 243 nm;The Journal of Physical Chemistry A;2019-03-11
5. Electronic spectrum and characterization of diabatic potential energy surfaces for thiophenol;Physical Chemistry Chemical Physics;2018
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