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Isotope effect and Coriolis coupling effect for the Li plus H(D)Cl -> LiCl H(D) reaction 期刊论文
CHINESE PHYSICS B, 2019, 卷号: 28, 期号: 5, 页码: 5
Authors:  Zhai, Hongsheng;  Liang, Guanglei;  Ding, Junxia;  Liu, Yufang
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isotope effect  Coriolis coupling  rate constant  quantum wave packet  
Ring-polymer molecular dynamics study on rate coefficient of the barrierless OH plus CO system at low temperature 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 150, 期号: 4, 页码: 6
Authors:  Meng, Qingyong;  Chen, Jun
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Kinetics of reaction RH + O-2 = R + HO2 (RH = normal C1-C14 alkanes): A DFT investigation 期刊论文
FUEL, 2018, 卷号: 234, 页码: 1165-1172
Authors:  Xu, Wei;  Fan, Hongjun
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Fuel combustion  Long alkane  Kinetics  First-principle  
A new global analytical potential energy surface of NaH2+ system and dynamical calculation for H(S-2) + NaH+(X-2 Sigma(+)) -> Na+(S-1) + H-2(X-1 Sigma(+)(g)) reaction 期刊论文
CHEMICAL PHYSICS LETTERS, 2018, 卷号: 700, 页码: 122-129
Authors:  Yuan, Meiling;  Li, Wentao;  Yuan, Jiuchuang
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Fukui Function and Local Softness Related to the Regioselectivity of Electrophilic Addition Reactions 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2018, 卷号: 34, 期号: 5, 页码: 519-527
Authors:  Zhu Zunwei;  Yang Qiaofeng;  Xu Zhenzhen;  Zhao Dongxia;  Fan Hongjun;  Yang Zhongzhi
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Fukui Function  Local Softness  Local Hard-soft And Acids-bases (Hsab) Principle  Electrophilic Addition Reactions  Finite Difference Approximation  Abeem Sigma Pi Model  
Recent advances in quantum scattering calculations on polyatomic bimolecular reactions 期刊论文
CHEMICAL SOCIETY REVIEWS, 2017, 卷号: 46, 期号: 24, 页码: 7625-7649
Authors:  Fu, Bina;  Shan, Xiao;  Zhang, Dong H.;  Clary, David C.
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A time-dependent quantum dynamical study of the C+(P-2) + H-2(D-2,HD) -> CH+(CD+) + H(D) reaction 期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 689, 页码: 121-127
Authors:  Guo, Jin;  Zhang, Ai Jie;  Zhou, Yong;  Liu, Jian Yong;  Jia, Jian Feng;  Wu, Hai Shun
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Time Dependent Wave Packet  Integral Cross Sections  Thermal Rate Constants  
A time-dependent quantum dynamical study of the C+(P-2) + H-2(D-2,HD) -> CH+(CD+) + H(D) reaction 期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 689, 页码: 121-127
Authors:  Guo, Jin;  Zhang, Ai Jie;  Zhou, Yong;  Liu, Jian Yong;  Jia, Jian Feng;  Wu, Hai Shun
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Time Dependent Wave Packet  Integral Cross Sections  Thermal Rate Constants  
Direct Conversion of Methane to Value-Added Chemicals over Heterogeneous Catalysts: Challenges and Prospects 期刊论文
CHEMICAL REVIEWS, 2017, 卷号: 117, 期号: 13, 页码: 8497-8520
Authors:  Schwach, Pierre;  Pan, Xiulian;  Bao, Xinhe
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A time-dependent quantum dynamical study of the O(P-3) + D-2(+) -> OD+ + D reaction 期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 676, 页码: 77-81
Authors:  Zhang, Ai-jie;  Zang, Kai-lu;  Jia, Jian-feng;  Wu, Hai-shun;  Yi-Wang;  Zhao, Guang-jiu
Favorite  |  View/Download:35/0  |  Submit date:2017/10/29
Taguchi M-32 Statistical Design  Granulation Process  Oil-drop Route  Mesoporous Materials  Texture Characteristics