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Ethanol and Acetaldehyde Decomposition on Co(0001): The Effect of Hydrogen Atom on C-O Bond Scission 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 31, 页码: 19045-19051
Authors:  Chen, Jun;  Guo, Qing;  Wu, Jiawei;  Dai, Dongxu;  Chen, Maodu;  Yang, Xueming
Favorite  |  View/Download:1/0  |  Submit date:2019/12/02
Enhanced reactivity of fluorine with para-hydrogen in cold interstellar clouds by resonance-induced quantum tunnelling 期刊论文
NATURE CHEMISTRY, 2019, 卷号: 11, 期号: 8, 页码: 744-749
Authors:  Yang, Tiangang;  Huang, Long;  Xiao, Chunlei;  Chen, Jun;  Wang, Tao;  Dai, Dongxu;  Lique, Francois;  Alexander, Millard H.;  Sun, Zhigang;  Zhang, Dong H.;  Yang, Xueming;  Neumark, Daniel M.
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Acetaldehyde polymerization on Co(0001): the role of CO 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 16, 页码: 8275-8281
Authors:  Chen, Jun;  Guo, Qing;  Wu, Jiawei;  Dai, Dongxu;  Chen, Maodu;  Yang, Xueming
Favorite  |  View/Download:3/0  |  Submit date:2019/06/25
An ab initio-based global potential energy surface for the SH3 system and full-dimensional state-to-state quantum dynamics study for the H-2 + HS -> H2S + H reaction 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2019, 卷号: 40, 期号: 10, 页码: 1151-1160
Authors:  Xu, Xin;  Chen, Jun;  Liu, Shu;  Zhang, Dong H.
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20
potential energy surface  differential cross sections  H-2 + SH  quantum dynamics  time-dependent wave packet  
Methanol Decomposition on Co(0001): Influence of the Cobalt Oxidation State on Reactivity 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 14, 页码: 9139-9145
Authors:  Chen, Jun;  Guo, Qing;  Wu, Jiawei;  Yang, Wenshao;  Dai, Dongxu;  Chen, Maodu;  Yang, Xueming
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
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
Favorite  |  View/Download:11/0  |  Submit date:2019/06/20
Self-Adaptable Quinone-Quinol Exchange Mechanism of Photosystem II 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 46, 页码: 10478-10489
Authors:  Yao, Mingdong;  Liu, Ying;  Fei, Liping;  Zhou, Ye;  Wang, Fangjun;  Chen, Jun
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A neural network potential energy surface for the F + CH4 reaction including multiple channels based on coupled cluster theory 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 14, 页码: 9090-9100
Authors:  Chen, Jun;  Xu, Xin;  Liu, Shu;  Zhang, Dong H.
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Water dissociating on rigid Ni(100): A quantum dynamics study on a full-dimensional potential energy surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 148, 期号: 14
Authors:  Liu, Tianhui;  Chen, Jun;  Zhang, Zhaojun;  Shen, Xiangjian;  Fu, Bina;  Zhang, Dong H.
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Computing energy levels of CH4, CHD3, CH3D, and CH3F with a direct product basis and coordinates based on the methyl subsystem 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 148, 期号: 7
Authors:  Zhao, Zhiqiang;  Chen, Jun;  Zhang, Zhaojun;  Zhang, Dong H.;  Wang, Xiao-Gang;  Carrington, Tucker, Jr.;  Gatti, Fabien
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20