scholarly journals Ab initio interpolated potential energy surface and classical reaction dynamics for HCO++H, HOC++H, and deuterated analogues

2006 ◽  
Vol 124 (12) ◽  
pp. 124318 ◽  
Author(s):  
Gloria E. Moyano ◽  
Seth A. Jones ◽  
Michael A. Collins
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Reaction Dynamics

Quantum reaction dynamics of O(3P)+HCl on a new ab initio potential energy surface

2000 ◽  
Vol 113 (3) ◽  
pp. 1018-1026 ◽  
Author(s):  
Katsuyuki Nobusada ◽  
Hiroki Nakamura ◽  
Yongjing Lin ◽  
B. Ramachandran
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Reaction Dynamics ◽  
Quantum Reaction
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