Combined nonadiabatic transition-state theory and ab initio molecular dynamics study on selectivity of the α and β bond fissions in photodissociation of bromoacetyl chloride

2006 ◽  
Vol 125 (18) ◽  
pp. 184305 ◽  
Author(s):  
Feng Zhang ◽  
Wan-Jian Ding ◽  
Wei-Hai Fang
Keyword(s):  
Molecular Dynamics ◽  
Transition State ◽  
Ab Initio ◽  
Transition State Theory ◽  
State Theory ◽  
Ab Initio Molecular Dynamics ◽  
Nonadiabatic Transition

Recombination of methyl radicals: ab initio potential and transition-state theory calculations

1989 ◽  
Vol 93 (12) ◽  
pp. 4772-4779 ◽  
Author(s):  
Katherine Valenta Darvesh ◽  
Russell J. Boyd ◽  
Philip D. Pacey
Keyword(s):  
Transition State ◽  
Ab Initio ◽  
Transition State Theory ◽  
State Theory ◽  
Methyl Radicals
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