ChemInform Abstract: Halocarbenes CHF, CHCI, and CHBr: Geometries, Singlet-Triplet Separations, and Vibrational Frequencies.

1986 ◽  
Vol 17 (41) ◽  
Author(s):  
G. E. SCUSERIA ◽  
M. DURAN ◽  
R. G. A. R. MACLAGAN ◽  
H. F. III SCHAEFER
Keyword(s):  
Vibrational Frequencies

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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