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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
Favorite  |  View/Download:59/0  |  Submit date:2017/12/19
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
Favorite  |  View/Download:52/0  |  Submit date:2017/12/19
Time Dependent Wave Packet  Integral Cross Sections  Thermal Rate Constants  
Hydrogen bonding and transportation properties of water confined in the single-walled carbon nanotube in the pulse-field 期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 686, 页码: 173-177
Authors:  Zhou, Min;  Hu, Ying;  Liu, Jian-chuan;  Cheng, Ke;  Jia, Guo-zhu
Favorite  |  View/Download:33/0  |  Submit date:2017/12/20
Molecular Dynamics  Carbon Nanotubes  Diffusivity  Hydrogen Bonding  
Hydrogen bonding and transportation properties of water confined in the single-walled carbon nanotube in the pulse-field 期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 686, 页码: 173-177
Authors:  Zhou, Min;  Hu, Ying;  Liu, Jian-chuan;  Cheng, Ke;  Jia, Guo-zhu
Favorite  |  View/Download:35/0  |  Submit date:2017/12/20
Molecular Dynamics  Carbon Nanotubes  Diffusivity  Hydrogen Bonding  
A theoretical study on the selective adsorption behavior of dimethyl ether and carbon monoxide on H-FER zeolites 期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 684, 页码: 279-284
Authors:  Feng, Pei;  Zhang, Guanqun;  Zang, Kailu;  Li, Xiujie;  Xu, Longya;  Chen, Xiaofang
Favorite  |  View/Download:19/0  |  Submit date:2017/12/19
Adsorption  Dimethyl Ether  Fer Zeolite  Acid Site  Periodic Model  
A full-dimensional time-dependent wave packet study of the H + CO2 -> OH plus CO reaction 期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 683, 页码: 352-356
Authors:  Sun, Peng;  Chen, Jun;  Liu, Shu;  Zhang, Dong H.
Favorite  |  View/Download:23/0  |  Submit date:2017/10/29
Low-temperature CO oxidation on Co(0001) 期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 683, 页码: 633-638
Authors:  Wu, Jiawei;  Chen, Jun;  Guo, Qing;  Dai, Dongxu;  Yang, Xueming
Favorite  |  View/Download:25/0  |  Submit date:2017/10/29
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:32/0  |  Submit date:2017/10/29
Taguchi M-32 Statistical Design  Granulation Process  Oil-drop Route  Mesoporous Materials  Texture Characteristics  
Water-soluble Au-13 clusters protected by binary thiolates: Structural accommodation and the use for chemosensing 期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 676, 页码: 18-24
Authors:  Ding, Weihua;  Huang, Chuanqi;  Guan, Lingmei;  Liu, Xianhu;  Luo, Zhixun;  Li, Weixue
Favorite  |  View/Download:22/0  |  Submit date:2017/10/29
Au-13 Mpcs  Binary Thiolates  Nbo Analysis  Chemosensing  Bioimaging  
Accurate mapped trigonometric discrete variable representations for Coulomb singularities in molecules: Applications with H2+ and H2 in cylindrical coordinates 期刊论文
CHEMICAL PHYSICS LETTERS, 2016, 卷号: 621, 期号: 0, 页码: 35
Authors:  Lin XS(林祥松);  Sun ZG(孙志刚)
Favorite  |  View/Download:8/0  |  Submit date:2016/11/24