Ab Initio Calculations and Franck-Condon Simulation of the Absorption Spectra of GeCl2 Including Anharmonicity

ChemPhysChem ◽  
2005 ◽  
Vol 6 (4) ◽  
pp. 719-731 ◽  
Author(s):  
Daniel K. W. Mok ◽  
Foo-tim Chau ◽  
Edmond P. F. Lee ◽  
John M. Dyke
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Absorption Spectra ◽  
Franck Condon

Ab initio calculations on low-lying electronic states of SnCl2−and Franck–Condon simulation of its photodetachment spectrum

2008 ◽  
Vol 10 (6) ◽  
pp. 834-843 ◽  
Author(s):  
Edmond P. F. Lee ◽  
John M. Dyke ◽  
Daniel K. W. Mok ◽  
Wan-ki Chow ◽  
Foo-tim Chau
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electronic States ◽  
Franck Condon ◽  
Photodetachment Spectrum

Vibronic bandshape of the absorption spectra of dibenzoylmethanatoboron difluoride derivatives: analysis based on ab initio calculations

2015 ◽  
Vol 17 (26) ◽  
pp. 16997-17006 ◽  
Author(s):  
Pavel S. Rukin ◽  
Alexandra Ya. Freidzon ◽  
Andrei V. Scherbinin ◽  
Vyacheslav A. Sazhnikov ◽  
Alexander A. Bagaturyants ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Absorption Spectra ◽  
Coupling Model ◽  
Vibronic Coupling ◽  
Time Dependent ◽  
Dibenzoylmethanatoboron Difluoride

The nature of absorption bandshapes of dibenzoylmethanatoboron difluoride (DBMBF2) derivatives is investigated using TDDFT and time-dependent linear vibronic coupling model.

π-π∗ vibronic spectrum of ethylene from ab initio calculations of the Franck-Condon factors

1996 ◽  
Vol 258 (1-2) ◽  
pp. 53-62 ◽  
Author(s):  
Alexander M. Mebel ◽  
Yit-Tsong Chen ◽  
Sheng-Hsien Lin
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Vibronic Spectrum ◽  
Condon Factors ◽  
Franck Condon

Ab initio calculations and Franck–Condon analysis of photoelectron spectroscopy of CH3OO− and CD3OO−

2009 ◽  
Vol 897 (1-3) ◽  
pp. 17-21 ◽  
Author(s):  
Renzhong Li ◽  
Chengfeng Liu ◽  
Chunchun Wang ◽  
Lixin Ning ◽  
Jun Liang ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Photoelectron Spectroscopy ◽  
Franck Condon
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