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H + H2 quantum dynamics using potential energy surfaces based on the XYG3 type of doubly hybrid density functionals: Validation of the density functionals 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 8, 页码: 084107
Authors:  Su NQ(苏乃强);  Chen J(陈俊);  Sun ZG(孙志刚);  Zhang DH(张东辉);  Xu X(徐昕)
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Insight into the Structural Determinants of Imidazole Scaffold-Based Derivatives as TNF-α Release Inhibitors by in Silico Explorations。 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2015, 卷号: 16, 期号: 1, 页码: 20118
Authors:  YuanWang;  MingweiWu;  艾纯芝;  YonghuaWang
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Communication: Rate coefficients of the H + CH4 -> H-2 + CH3 reaction from ring polymer molecular dynamics on a highly accurate potential energy surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 143, 期号: 10
Authors:  Meng, Qingyong;  Chen, Jun;  Zhang, Dong H.
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Early Stage Solvation of Protonated Methanol by Carbon Dioxide 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 28, 期号: 4, 页码: 501-508
Authors:  Zhao, Zhi;  Kong, Xiang-tao;  Lei, Xin;  Zhang, Bing-bing;  Zhao, Ji-jun;  Jiang, Ling;  Jiang L(江凌)
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Methanol  Carbon Dioxide  Solvation  Infrared Photodissociation Spectroscopy  Quantum Chemical Calculation  
Quantum Dynamics of Li plus HF/DF Reaction Investigated by a State-to-State Time-dependent Wave Packet Approach 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 28, 期号: 4, 页码: 415-425
Authors:  Li, Wen-tao;  Chen, Mao-du;  Sun, Zhi-gang
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Quantum Wavepacket  Integral And Differential Cross Section  Reaction Rate Constant  Li Plus Hf/df  Isotope Effect  
Equation-of-motion coupled-cluster method for doubly ionized states with spin-orbit coupling 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 14, 页码: 144109
Authors:  Wang, Zhifan;  Hu, Shu;  Wang, Fan;  Guo, Jingwei;  FanWang
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Magnetic Field Enhanced Photoelectron Ionization Source Portable TOF-MS and Its Application in Analysis of Volatile Reduced Sulfur Compounds 期刊论文
CHINESE JOURNAL OF ANALYTICAL CHEMISTRY, 2015, 卷号: 43, 期号: 3, 页码: 444-450
Authors:  Li Jin-Xu;  Hou Ke-Yong;  Zhao Wu-Duo;  Chen Wen-Dong;  Jiang Ji-Chun;  Liu Wei;  Li Qing-Yun;  Tian Di;  Li Hai-Yang
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Volatile Reduced Sulfur Compounds  Magnetic Field Enhanced Photoelectron Ionization  Portable Time-of-flight Mass Spectrometer  Online Monitoring  
Multi-perturbation stochastic parallel gradient descent method for wavefront correction 期刊论文
OPTICS EXPRESS, 2015, 卷号: 23, 期号: 3, 页码: 2933-2944
Authors:  Wu, Kenan;  Sun, Yang;  Huai, Ying;  Jia, Shuqin;  Chen, Xi;  Jin, Yuqi
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Accurate mapped trigonometric discrete variable representations for Coulomb singularities in molecules: Applications with H-2(+) and H-2 in cylindrical coordinates 期刊论文
CHEMICAL PHYSICS LETTERS, 2015, 卷号: 621, 页码: 35-40
Authors:  Lin, Xiangsong;  Sun, Zhigang
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Following Molecules through Reactive Networks: Surface Catalyzed Decomposition of Methanol on Pd(111); Pt(111); and Ni(111) 期刊论文
Journal of Physical Chemistry C, 2015, 卷号: 118, 期号: 1, 页码: 12364
Authors:  ZebC.Kramer;  Xiang-KuiGu;  DingyuD.Y.Zhou;  Li WX(李微雪);  RexT.Skodje
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