Oscillating reactivity of the light atom transfer reaction chlorine atom + hydrogen chloride .fwdarw. chlorine hydrogen + chlorine atom: dependence on the nature of the potential energy surface

1987 ◽  
Vol 91 (21) ◽  
pp. 5496-5503 ◽  
Author(s):  
Avigdor. Persky ◽  
Haya. Kornweitz
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Hydrogen Chloride ◽  
Chlorine Atom ◽  
Transfer Reaction ◽  
Energy Surface ◽  
Atom Transfer ◽  
Light Atom

A global ab initio potential energy surface and dynamics of the proton-transfer reaction: OH− + D2 → HOD + D−

2020 ◽  
Vol 22 (15) ◽  
pp. 8203-8211 ◽  
Author(s):  
Lulu Li ◽  
Bina Fu ◽  
Xueming Yang ◽  
Dong H. Zhang
Keyword(s):  
Potential Energy ◽  
Proton Transfer ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Reaction Mechanisms ◽  
Transfer Reaction ◽  
Energy Surface ◽  
Proton Transfer Reaction

The reaction mechanisms of OH− + D2 → HOD + D− were first revealed by theory, based on an accurate full-dimensional PES.

Potential Energy Surface for the Chlorine Atom Reaction with Ethylene:  A Theoretical Study

2000 ◽  
Vol 104 (46) ◽  
pp. 10842-10854 ◽  
Author(s):  
P. Braña ◽  
B. Menéndez ◽  
T. Fernández ◽  
J. A. Sordo
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Chlorine Atom ◽  
Energy Surface ◽  
Theoretical Study
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