Transition State Structures and Properties of Hydrogen Transfer Reactions of Hydrocarbons: Ab Initio Benchmark Calculations

1995 ◽  
Vol 99 (24) ◽  
pp. 9709-9716 ◽  
Author(s):  
J. A. Litwinowicz ◽  
D. W. Ewing ◽  
S. Jurisevic ◽  
M. J. Manka
Keyword(s):  
Transition State ◽  
Ab Initio ◽  
Hydrogen Transfer ◽  
Transfer Reactions ◽  
Structures And Properties ◽  
Hydrogen Transfer Reactions ◽  
Transition State Structures

Assessing the performance of ab initio classical valence bond methods for hydrogen transfer reactions

2017 ◽  
Vol 1116 ◽  
pp. 234-241 ◽  
Author(s):  
Itay Karach ◽  
Alina Botvinik ◽  
Donald G. Truhlar ◽  
Wei Wu ◽  
Avital Shurki
Keyword(s):  
Ab Initio ◽  
Hydrogen Transfer ◽  
Valence Bond ◽  
Transfer Reactions ◽  
Hydrogen Transfer Reactions
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