Effect of molecular vibrations on the MD/QC-simulated absorption spectra

International Journal of Quantum Chemistry

Volumn 114, Issue 4, 2014, Pages 261-270

  Eilmes, Andrzej ^a  

^a JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

absorption spectra; Born Oppenheimer molecular; dynamics; molecular vibrations

Indexed keywords

ABSORPTION SPECTRA; DYNAMICS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; QUANTUM CHEMISTRY; VIBRATIONS (MECHANICAL);

BORN-OPPENHEIMER; CALCULATED SPECTRUM; FRANCK-CONDON ANALYSIS; MOLECULAR GEOMETRIES; QUANTUM CHEMICAL CALCULATIONS; SEQUENTIAL APPROACH; SIMULATED SPECTRA; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

DENSITY FUNCTIONAL THEORY;

EID: 84891632191     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.24553     Document Type: Article

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