Investigation of Herzberg-Teller Franck-Condon approaches and classical simulations to include effects due to vibronic coupling in circular dichroism spectra: The case of dimethyloxirane continued

International Journal of Quantum Chemistry

Volumn 106, Issue 12, 2006, Pages 2489-2510

  Nooijen, Marcel ^a  

^a UNIVERSITY OF WATERLOO   (Canada)

Author keywords

Circular dichroism; Franck Condon; Herzberg Teller corrections; Time dependent DFT; Vibronic coupling

Indexed keywords

COMPUTATIONAL GEOMETRY; COMPUTER SIMULATION; MATHEMATICAL MODELS; NUMERICAL ANALYSIS; QUANTUM THEORY; STATISTICAL METHODS;

CIRCULAR DICHROISM; FRANCK-CONDON; HERZBERG-TELLER CORRECTIONS; TIME-DEPENDENT DFT; VIBRONIC COUPLING;

MOLECULAR VIBRATIONS;

EID: 33748433770     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21044     Document Type: Article

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