Comparative ab initio MO investigation on the reactivity of the three NH(a 1 Δ), NH(X 3 Σ − ) and NH 2 (X̃ 2 B 1 ) radical species in their bimolecular abstraction gas-phase reaction with the HN 3 molecule

2000 ◽  
Vol 531 (1-3) ◽  
pp. 283-299 ◽  
Author(s):  
E Henon ◽  
F Bohr
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Phase Reaction ◽  
Radical Species ◽  
Gas Phase Reaction ◽  
Ab Initio Mo

Ab initio investigation on the reaction path and rate for the gas-phase reaction of HO + H2O ? H2O + OH

2003 ◽  
Vol 24 (13) ◽  
pp. 1538-1548 ◽  
Author(s):  
Tadafumi Uchimaru ◽  
Asit K. Chandra ◽  
Seiji Tsuzuki ◽  
Masaaki Sugie ◽  
Akira Sekiya
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Reaction Path ◽  
Phase Reaction ◽  
Gas Phase Reaction
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