Anharmonic franck-condon simulation of the absorption and fluorescence spectra for the low-lying S1 and S2 excited states of pyridine

Journal of Physical Chemistry A

Volumn 113, Issue 52, 2009, Pages 14407-14414

  Wang, Huan ^a,b   Zhu, Chaoyuan ^a   Yu, Jian Guo ^b   Lin, Sheng Hsien ^a  

^a NATIONAL CHIAO TUNG UNIVERSITY   (Taiwan)

^b BEIJING NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION AND FLUORESCENCE SPECTRA; ANHARMONIC; ANHARMONIC CORRECTION; ANHARMONIC EFFECT; BAND SHAPES; COMPARISON WITH EXPERIMENTS; COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELDS; DUSCHINSKY EFFECT; DYNAMIC SHIFT; EQUILIBRIUM GEOMETRIES; FIRST-ORDER; FRANCK-CONDON FACTORS; FRANCK-CONDON SIMULATIONS; FREQUENCY DIFFERENCES; HARMONIC APPROXIMATION; LOW-LYING SINGLETS; MOLECULAR SPECTRA; NORMAL-MODE FREQUENCIES; PYRIDINE MOLECULES; SPECTRUM BANDS; SPECTRUM SIMULATION; TOTALLY SYMMETRIC; TRANSITION ENERGY; VIBRATIONAL MODES;

ABSORPTION; BAND STRUCTURE; ELECTRON TRANSITIONS; EXCITED STATES; FLUORESCENCE; MASS SPECTROMETRY; MOLECULAR SPECTROSCOPY; PYRIDINE;

ABSORPTION SPECTROSCOPY;

EID: 73949099432     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp903585c     Document Type: Article

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