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1998 ◽  
Vol 109 (24) ◽  
pp. 10847-10852 ◽  
Author(s):  
Der-Yan Hwang ◽  
Alexander M. Mebel
Keyword(s):  
Reaction Mechanism ◽  
Ab Initio ◽  
Chlorine Atom ◽  
Ab Initio Study

DFT and ab initio study on the reaction mechanism of CH2SH + O2

2008 ◽  
Vol 121 (3-4) ◽  
pp. 201-207 ◽  
Author(s):  
Yi-Zhen Tang ◽  
Ya-Ru Pan ◽  
Jing-Yu Sun ◽  
Hao Sun ◽  
Rong-Shun Wang
Keyword(s):  
Reaction Mechanism ◽  
Ab Initio ◽  
Ab Initio Study

Ab initio study on the reaction mechanism of ozone with bromine atom

2007 ◽  
Vol 107 (5) ◽  
pp. 1085-1091 ◽  
Author(s):  
Dan Bing ◽  
Yongfang Zhao ◽  
Fengyou Hao ◽  
Xinying Li ◽  
Fengli Liu ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Ab Initio ◽  
Bromine Atom ◽  
Ab Initio Study

Is the CH2OH + O2 → CH2 = O + HO2 Reaction Barrierless? An Ab Initio Study on the Reaction Mechanism

2006 ◽  
Vol 116 (4-5) ◽  
pp. 637-640 ◽  
Author(s):  
Víctor M. Ramírez-Ramírez ◽  
Luis Serrano-Andrés ◽  
Ignacio Nebot-Gil
Keyword(s):  
Reaction Mechanism ◽  
Ab Initio ◽  
Ab Initio Study

Ab initio study of reaction mechanism of C2+H2S

2003 ◽  
Vol 368 (1-2) ◽  
pp. 139-146 ◽  
Author(s):  
Jia-Hai Wang ◽  
Ke-Li Han ◽  
Guo-Zhong He ◽  
Zhuangjie Li
Keyword(s):  
Reaction Mechanism ◽  
Ab Initio ◽  
Ab Initio Study
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