Multireference Configuration Interaction Study of the Vibronic Transitions and Photodissociation of Vinyl Bromide and Vinyl Chloride Radical Cations in the Second Excited State

2010 ◽  
Vol 114 (30) ◽  
pp. 7937-7944 ◽  
Author(s):  
Makoto Yamaguchi
Keyword(s):  
Excited State ◽  
Vinyl Chloride ◽  
Configuration Interaction ◽  
Radical Cations ◽  
Interaction Study ◽  
Vinyl Bromide ◽  
Vibronic Transitions

scholarly journals Electronic spectra and photodissociation of vinyl chloride: A symmetry-adapted cluster configuration interaction study

2006 ◽  
Vol 124 (3) ◽  
pp. 034312 ◽  
Author(s):  
Sundaram Arulmozhiraja ◽  
Ryoichi Fukuda ◽  
Masahiro Ehara ◽  
Hiroshi Nakatsuji
Keyword(s):  
Vinyl Chloride ◽  
Configuration Interaction ◽  
Electronic Spectra ◽  
Interaction Study ◽  
Cluster Configuration

Configuration Interaction Study of the Low-Lying Electronic States of Silicon Monoxide

2003 ◽  
Vol 107 (1) ◽  
pp. 148-158 ◽  
Author(s):  
Surya Chattopadhyaya ◽  
Anjan Chattopadhyay ◽  
Kalyan Kumar Das
Keyword(s):  
Configuration Interaction ◽  
Electronic States ◽  
Silicon Monoxide ◽  
Interaction Study

The Way of Obtain C3H4O+ Fragments Laser-Induced by Cycloheptanone Ion Excited State

2014 ◽  
Vol 887-888 ◽  
pp. 931-934
Author(s):  
Hong Bin Chen ◽  
Ying Zhu ◽  
Jie Wu
Keyword(s):  
Excited State ◽  
Configuration Interaction ◽  
Theoretical Study ◽  
Vibrational Frequencies ◽  
State Structure ◽  
The Way

Our theoretical study aims to the way of obtain C3H4O+ fragments laser-induced by Cycloheptanone ion (C7H12O+ ) excited state and gives out a result with proved and directed significance for the corresponding experiments. Using the CIS（Configuration Interaction with Single Substitute） method, calculated Cycloheptanone ion excited state structure and vibrational frequencies.

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