scholarly journals Ab initio ground potential energy surface and quasiclassical trajectory study of the O(1D)+CH4(X 1A1)→OH(X 2Π)+CH3(X 2A2″) reaction dynamics

1999 ◽  
Vol 111 (19) ◽  
pp. 8913-8924 ◽  
Author(s):  
Miguel González ◽  
Jordi Hernando ◽  
Irene Baños ◽  
R. Sayós
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Reaction Dynamics ◽  
Ground Potential

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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