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Development of a Reactive Force Field for Hydrocarbons and Application to Iso-octane Thermal Decomposition 期刊论文
ENERGY & FUELS, 2018, 卷号: 32, 期号: 1, 页码: 901-907
Authors:  Wang, Endong;  Ding, Junxia;  Qu, Zongjin;  Han, Keli
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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
Favorite  |  View/Download:19/0  |  Submit date:2017/10/29
Hexagonal Boron Nitride Cover on Pt(111): A New Route to Tune MoleculeMetal Interaction and Metal-Catalyzed Reactions 期刊论文
NANO LETTERS, 2015, 卷号: 15, 期号: 5, 页码: 3616
Authors:  Zhang YH(张燕红);  XuefeiWeng;  HuanLi;  Li HB(李昊博);  Wei MM(魏明明);  Xiao JP(肖建平);  ZhiLiu;  MingshuChen;  Fu Q(傅强);  Bao XH(包信和);  Chen MS(陈明树)
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An accurate potential energy surface for the F + H2 → HF + H reaction by the coupled-luster method 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 2, 页码: 024303
Authors:  Chen J(陈俊);  Sun ZG(孙志刚);  Zhang DH(张东辉)
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Carbon nanotubes grown in situ on carbon paper as a microporous layer for proton exchange membrane fuel cells 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2015, 卷号: 40, 期号: 29, 页码: 8958-8965
Authors:  Xie, Zhiyong;  Chen, Guofen;  Yu, Xiao;  Hou, Ming;  Shao, Zhigang;  Hong, Shaojing;  Mu, Cong;  Hou M(侯明)
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Proton Exchange Membrane Fuel Cell  Gas Diffusion Layer  In-situ Carbon Nanotubes  Mass Transfer  
A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 20, 页码: 204302
Authors:  Li, Jun;  Chen, Jun;  Zhao, Zhiqiang;  Xie, Daiqian;  Zhang, Dong H.;  Guo, Hua;  Li J(李军);  Zhang DH(张东辉)
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Kinetic isotope effect of the O-16+O-36(2) and O-18+O-32(2) isotope exchange reactions: Dominant role of reactive resonances revealed by an accurate time-dependent quantum wavepacket study 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 17
Authors:  Sun, Zhigang;  Yu, Dequan;  Xie, Wenbo;  Hou, Jiayi;  Dawes, Richard;  Guo, Hua
Favorite  |  View/Download:26/0  |  Submit date:2015/11/17
Spectroscopic Capture and Reactivity of a Low—Spin Cobalt(IV)—Oxo Complex Stabilized by Binding Redox-Inactive Metal Ions 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2015, 卷号: 53, 期号: 39, 页码: 10403
Authors:  SeungwooHong;  FlorianF.Pfaff;  EunjiKwon;  王永;  Mi—SookSeo;  EckhardBill;  KallolRay;  WonwooNam
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