๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Calculation of the vibronic spectrum of diphenylhexatriene

โœ Scribed by V. I. Baranov; L. A. Gribov


Publisher
Springer US
Year
1979
Tongue
English
Weight
251 KB
Volume
31
Category
Article
ISSN
0021-9037

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


ฯ€-ฯ€โˆ— vibronic spectrum of ethylene from
โœ Alexander M. Mebel; Yit-Tsong Chen; Sheng-Hsien Lin ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 541 KB

The vibronic spectrum of ethylene corresponding to the rr-Tr \* N-V excitation has been studied using various ab initio methods. The vertical and adiabatic excitation energies, 8.1 and 5.6 eV, respectively, obtained at the highest level of theory, MRCI, are in close agreement with experiment and the

Calculation of vibronic coupling constan
โœ Ken Tokunaga; Tohru Sato; Kazuyoshi Tanaka ๐Ÿ“‚ Article ๐Ÿ“… 2007 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 342 KB

Vibronic coupling, electron-phonon interaction, constants of Jahn-Teller molecules, C 5 H 5 and C 5 D 5 , are computed as matrix elements of the electronic operator of the vibronic coupling operator using the electronic wave functions calculated by generalized restricted Hartree-Fock (GRHF) and stat

Vibronic effects in the MCD spectrum of
โœ Giancarlo Marconi; Pier Remigio Salvi ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 467 KB

The manifestations of vibronic coupling responsible for the magnetic circular dichroism (MCD) A terms in the region of the lowest excited state of Css have been examined through quantum-mechanical semi-empirical calculations. The vibronic sequences present both in the MCD and in the fluorescence spe