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
- 28 October 2004
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 108 (47) , 10594-10601
Abstract
No abstract availableKeywords
This publication has 25 references indexed in Scilit:
- Spin-orbit coupling in molecules: Chemistry beyond the adiabatic approximationInternational Reviews in Physical Chemistry, 2003
- Photofragmentation dynamics of the thiomethoxy radicalThe Journal of Chemical Physics, 2000
- Photodissociation spectroscopy and dynamics of the methylthio radical (CH3S)The Journal of Chemical Physics, 1999
- Quantitative insights about molecules exhibiting Jahn-Teller and related effectsInternational Reviews in Physical Chemistry, 1998
- Vibronic analysis of the à 2A1–X̃ 2E laser-induced fluorescence of jet-cooled CH3SThe Journal of Chemical Physics, 1991
- Rotational analysis of à 2A1↔X̃ 2E electronic transition of the jet-cooled methylthio radicalThe Journal of Chemical Physics, 1989
- Approximate calculation of the Jahn–Teller energy and Ham reduction factor for CH3SThe Journal of Chemical Physics, 1988
- The microwave spectrum of the thiomethoxy radical CH3SThe Journal of Chemical Physics, 1986
- The 2A1–2E electronic spectrum of methoxy, CH3O: Vibrational progressions, and spin-orbit and Jahn–Teller couplingsThe Journal of Chemical Physics, 1986
- Laser photodetachment electron spectrometry of methoxide, deuteromethoxide, and thiomethoxide: Electron affinities and vibrational structure of CH30, CD30, and CH3SThe Journal of Chemical Physics, 1978