Ab Initio Study on the Oxidation of NCN by OH: Prediction of the Individual and Total Rate Constants

2009 ◽  
Vol 113 (1) ◽  
pp. 298-304 ◽  
Author(s):  
R. S. Zhu ◽  
Hue M. T. Nguyen ◽  
M. C. Lin
Keyword(s):  
Ab Initio ◽  
Rate Constants ◽  
Ab Initio Study ◽  
Total Rate ◽  
The Individual

Ab initio study of rate constants of the reaction: HCN + OH → CN + H 2 O

2002 ◽  
Vol 108 (6) ◽  
pp. 341-346 ◽  
Author(s):  
Chao Yang Wang ◽  
Shaowen Zhang ◽  
Qian Shu Li
Keyword(s):  
Ab Initio ◽  
Rate Constants ◽  
Ab Initio Study

An ab Initio Study of the Transition State and Forward and Reverse Rate Constants for C2H5⇌ H + C2H4

1996 ◽  
Vol 100 (13) ◽  
pp. 5354-5361 ◽  
Author(s):  
William L. Hase ◽  
H. Bernhard Schlegel ◽  
Vsevolod Balbyshev ◽  
Michael Page
Keyword(s):  
Transition State ◽  
Ab Initio ◽  
Rate Constants ◽  
Ab Initio Study

Direct ab initio study on the rate constants of radical C2(A3Πu) + C3H8 reaction

2012 ◽  
Vol 19 (3) ◽  
pp. 1009-1018
Author(s):  
Rui-Ping Huo ◽  
Xiang Zhang ◽  
Xu-Ri Huang ◽  
Ji-Lai Li ◽  
Chia-Chung Sun
Keyword(s):  
Ab Initio ◽  
Rate Constants ◽  
Ab Initio Study

scholarly journals Ab Initio Study of the Transition State and Forward and Reverse Rate Constants for C2H5⇌ H + C2H4

1997 ◽  
Vol 101 (27) ◽  
pp. 5026-5026 ◽  
Author(s):  
W. L. Hase ◽  
H. B. Schlegel ◽  
V. Balbyshev ◽  
M. Page
Keyword(s):  
Transition State ◽  
Ab Initio ◽  
Rate Constants ◽  
Ab Initio Study

Ab initio study on the rate constants of SiCl4 + H→SiCl3 + HCl

2001 ◽  
Vol 3 (6) ◽  
pp. 965-969 ◽  
Author(s):  
Xiang Zhang ◽  
Yi-hong Ding ◽  
Ze-sheng Li ◽  
Xu-ri Huang ◽  
Chia-chung Sun
Keyword(s):  
Ab Initio ◽  
Rate Constants ◽  
Ab Initio Study
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