Ab Initio Study of Spin-Vibronic Dynamics in the Ground X̃2E and Excited Ã2A1 Electronic States of CH3S•-Reference-Cited by-同舟云学术

Ab Initio Study of Spin-Vibronic Dynamics in the Ground X̃2E and Excited Ã2A1 Electronic States of CH3S•

Published:2005-09-28 Issue:6 Volume:1 Page:1162-1171
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Marenich Aleksandr V.¹,Boggs James E.¹

Affiliation:

1. Institute for Theoretical Chemistry, Department of Chemistry and Biochemistry, The University of Texas at Austin, 1 University Station A5300, Austin, Texas 78712

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct0501452

Reference38 articles.

1. A model spin-vibronic Hamiltonian for twofold degenerate electron systems: A variational ab initio study of X̃ 2E CH3O•

2. The role of the cubic and quartic Jahn–Teller coupling in the X˜2E ground electronic state of the methoxy radical CH3O

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