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Theoretical study on dynamics of the gas phase reactions of CF3CF2CH2OCHF2 with OH radicals 期刊论文
JOURNAL OF FLUORINE CHEMISTRY, 2014, 卷号: 168, 页码: 25-33
Authors:  Wang, Li;  Zhang, Ting;  Wen, Jinmiao;  He, Hongqing;  Zhang, Jinglai
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H-abstraction  Cf3cf2ch2ochf2  Direct Dynamics  Rate Constants  
Hydrogen Abstraction Reactions of OH Radicals with CH3CH2CH2Cl and CH3CHClCH3: A Mechanistic and Kinetic Study 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2012, 卷号: 33, 期号: 1, 页码: 66-75
Authors:  Wang, Li;  Li, Yanjie;  He, Hongqing;  Zhang, Jinglai
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Ch3ch2ch2cl  Ch3chclch3  Rate Constants  Direct Dynamics Method  Four-parameter Expression  
Dual-Level Direct Dynamics Studies on the Hydrogen Abstraction Reactions of CH2CH3-nXn+HBr (X=Cl, Br and n=1, 2) 期刊论文
AUSTRALIAN JOURNAL OF CHEMISTRY, 2012, 卷号: 65, 期号: 2, 页码: 160-168
Authors:  Wang, Li;  Zhao, Jianxiang;  He, Hongqing;  Zhang, Jinglai
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Direct ab initio dynamics study on the reaction of CH(3)CHF(2) (HFC-152a) with the Cl atom 期刊论文
CHEMPHYSCHEM, 2008, 卷号: 9, 期号: 6, 页码: 847-853
Authors:  Sun, Hao;  He, Hongqing;  Liu, Jingyao;  Li, Zesheng;  Pan, Xiumei;  Wang, Rongshun
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Ab Initio Calculations  Hydrofluorocarbons  Kinetics  Radical Reactions  Reaction Mechanisms  
Theoretical study of the reactions CF3CH2OCHF2+OH/Cl and its product radicals and parent ether (CH3CH2OCH3) with OH 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2008, 卷号: 29, 期号: 4, 页码: 550-561
Authors:  Yang, Lei;  Liu, Jing-Yao;  Wang, Li;  He, Hong-Qing;  Wang, Ying;  Li, Ze-Sheng
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Density Functional Theory  Direct Dynamics  Rate Constant  Variational Transition-state Theory