Jahn−Teller Effect versus Spin−Orbit Coupling in X2E CH3S: An ab Initio Study by the Equation-of-Motion Coupled Cluster Method and Multiconfiguration Quasi-Degenerate Second-Order Perturbation Theory-Reference-Cited by-同舟云学术

Jahn−Teller Effect versus Spin−Orbit Coupling in X2E CH3S: An ab Initio Study by the Equation-of-Motion Coupled Cluster Method and Multiconfiguration Quasi-Degenerate Second-Order Perturbation Theory

Published:2004-10-28 Issue:47 Volume:108 Page:10594-10601
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

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, Austin, Texas 78712

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp040443f

Reference28 articles.

1. The 2A1–2E electronic spectrum of methoxy, CH3O: Vibrational progressions, and spin‐orbit and Jahn–Teller couplings

2. Vibronic analysis of the Ã 2A1–X̃ 2E laser‐induced fluorescence of jet‐cooled CH3S

3. Quantitative insights about molecules exhibiting Jahn-Teller and related effects

4. Theoretical study of the Jahn–Teller effect in X̃ 2E CH3O

5. Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules. Supplement B

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