Ab initio direct dynamics studies on the reactions of chlorine atom with CH3−nFnCH2OH (n = 1–3)

2007 ◽  
Vol 28 (16) ◽  
pp. 2517-2530 ◽  
Author(s):  
Ying Wang ◽  
Jing-Yao Liu ◽  
Ze-Sheng Li
Keyword(s):  
Ab Initio ◽  
Chlorine Atom ◽  
Direct Dynamics

Ab initio direct dynamics studies on the reactions of chlorine atom with CH3−nClnCHO (n=1–3)

2005 ◽  
Vol 314 (1-3) ◽  
pp. 329-339 ◽  
Author(s):  
Ying Wang ◽  
Jing-yao Liu ◽  
Ze-sheng Li ◽  
Jia-yan Wu ◽  
Li Wang ◽  
...  
Keyword(s):  
Ab Initio ◽  
Chlorine Atom ◽  
Direct Dynamics

Ab initio and direct dynamics study on the C2H3 + CH3CH2OH reaction

2015 ◽  
Vol 114 (2) ◽  
pp. 315-324 ◽  
Author(s):  
Chaoxu Chen ◽  
Jinou Song ◽  
Chonglin Song ◽  
Gang Lv ◽  
Zhijun Li
Keyword(s):  
Ab Initio ◽  
Direct Dynamics

Interaction of the Chlorine Atom with Water:  ESRand ab Initio MO Evidence for Three-Electron(σ2σ*1)Bonding

1997 ◽  
Vol 101 (15) ◽  
pp. 2910-2915 ◽  
Author(s):  
Michael D. Sevilla ◽  
Steven Summerfield ◽  
Isaac Eliezer ◽  
Janusz Rak ◽  
M. C. R. Symons
Keyword(s):  
Ab Initio ◽  
Chlorine Atom ◽  
Ab Initio Mo

Ab initio Mechanism Study on the Reaction of Chlorine Atom with Formic Acid

2010 ◽  
Vol 21 (3) ◽  
pp. 244-248
Author(s):  
Yu Hai-Tao ◽  
Chi Yu-Juan ◽  
Fu Hong-Gang ◽  
Li Ze-Sheng ◽  
Sun Jia-Zhong
Keyword(s):  
Formic Acid ◽  
Ab Initio ◽  
Chlorine Atom ◽  
Mechanism Study

Ab Initio Direct Dynamics Studies on the Reactions of H Atoms with CCl4and CHCl3

2002 ◽  
Vol 106 (51) ◽  
pp. 12292-12298 ◽  
Author(s):  
Li Sheng ◽  
Ze-Sheng Li ◽  
Jing-Yao Liu ◽  
Jing-Fa Xiao ◽  
Chia-Chung Sun
Keyword(s):  
Ab Initio ◽  
Direct Dynamics
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