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Vol 124 (8) ◽  
pp. 1728-1735 ◽  
Author(s):  
Juan F. Arenas ◽  
Isabel López-Tocón ◽  
Juan C. Otero ◽  
Juan Soto
Keyword(s):  
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Singlet State ◽  
Direct Dynamics ◽  
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Ab initio and direct dynamics study on the hydrogen abstraction reaction C 2 H 3 + CH 3 CHO

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Chaoxu Chen ◽  
Jinou Song ◽  
Chonglin Song ◽  
Gang Lv ◽  
Zhijun Li
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Ab Initio ◽  
Hydrogen Abstraction ◽  
Direct Dynamics ◽  
Abstraction Reaction ◽  
Hydrogen Abstraction Reaction

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

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

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

Structure and stability of [C2H4N]+singlet-state cations: Comparison between DFT and high-level ab initio calculations

2002 ◽  
Vol 91 (3) ◽  
pp. 438-445 ◽  
Author(s):  
Inés Corral ◽  
Otilia Mó ◽  
Manuel Yáñez
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Singlet State ◽  
Structure And Stability ◽  
High Level

Application of ab initio direct dynamics calculations on the ionization and electron attachment processes for the CCl3F molecule

1998 ◽  
Vol 176 (3) ◽  
pp. 227-235 ◽  
Author(s):  
Toshiyuki Takayanagi ◽  
Yuzuru Kurosaki ◽  
Hiroto Tachikawa
Keyword(s):  
Ab Initio ◽  
Electron Attachment ◽  
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Ab Initio ◽  
Direct Dynamics ◽  
Singlet Methylene

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Vol 540 (1-3) ◽  
pp. 221-229 ◽  
Author(s):  
Shen-Min Li ◽  
Xin Yu ◽  
Zhen-Feng Xu ◽  
Ze-Sheng Li ◽  
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Ab Initio ◽  
Rate Constants ◽  
Reaction Path ◽  
Direct Dynamics ◽  
Dynamics Method ◽  
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Vol 28 (16) ◽  
pp. 2517-2530 ◽  
Author(s):  
Ying Wang ◽  
Jing-Yao Liu ◽  
Ze-Sheng Li
Keyword(s):  
Ab Initio ◽  
Chlorine Atom ◽  
Direct Dynamics

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2004 ◽  
Vol 674 (1-3) ◽  
pp. 23-27 ◽  
Author(s):  
Hui Zhang ◽  
Ze-sheng Li ◽  
Jing-yao Liu ◽  
Li Sheng ◽  
Chia-chung Sun
Keyword(s):  
Ab Initio ◽  
Hydrogen Abstraction ◽  
Direct Dynamics
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