期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 5, 期 12, 页码 2505-2514出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/b301228j
关键词
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We describe a program for Franck-Condon simulations of dispersed fluorescence spectra obtained from excitation of single vibronic fundamental, overtone and combination levels. The S-1 state geometry of phenol has been determined by a simultaneous fit of the geometry to the vibronic intensities and effective rotational constants in the harmonic limit based on ab initio force constants.
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