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CORC

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Unstable, Metastable, or Stable Halogen Bonding Interaction Involving Negatively Charged Donors? A Statistical and Computational Chemistry Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2014, 卷号: 118, 期号: 49, 页码: 14223-14233
作者:  Yang, Zhuo;  Xu, Zhijian;  Liu, Yingtao;  Wang, Jinan;  Shi, Jiye
收藏  |  浏览/下载：11/0  |  提交时间：2019/01/08
Investigation of Novel Gemini Surfactant with Long Chain Alkyl Ammonium Headgroups as Corrosion Inhibitor for Copper in 3.5% NaCl 期刊论文
INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE, 2014, 卷号: 9, 期号: 12, 页码: 8106-8119
作者:  Cao, Kun;  Sun, Huyuan;  Zhao, Xia;  Hou, Baorong
收藏  |  浏览/下载：23/0  |  提交时间：2015/06/11
Efficient Fourth-Order Split Operator for Solving the Triatomic Reactive Schrodinger Equation in the Time-Dependent Wavepacket Approach 期刊论文
journal of physical chemistry a, 2014, 卷号: 118, 期号: 42, 页码: 9801-9810
作者:  Li, Wentao;  Zhang, Dong H.;  Sun, Zhigang
收藏  |  浏览/下载：17/0  |  提交时间：2015/11/16
Calculation of the state-to-state S-matrix for tetra-atomic reactions with transition-state wave packets: H-2/D-2 + OH -> H/D + H2O/HOD 期刊论文
journal of chemical physics, 2014, 卷号: 141, 期号: 15
作者:  Zhao, Bin;  Sun, Zhigang;  Guo, Hua
收藏  |  浏览/下载：13/0  |  提交时间：2015/11/13
Infrared Signature of the Early Stage Microsolvation in the NaSO4-(H2O)(1-5) Clusters: A Simulation Study 期刊论文
journal of physical chemistry a, 2014, 卷号: 118, 期号: 39, 页码: 9157-9162
作者:  Jin, Tan;  Zhang, BingBing;  Song, Jian;  Jiang, Ling;  Qiu, Yishen
收藏  |  浏览/下载：16/0  |  提交时间：2015/11/13
Efficient and reversible capture of SO2 by pyridinium-based ionic liquids 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2014, 卷号: 251, 期号: 1, 页码: 248-256
作者:  Zeng, Shaojuan;  Gao, Hongshuai;  Zhang, Xiaochun;  Dong, Haifeng;  Zhang, Xiangping
收藏  |  浏览/下载：15/0  |  提交时间：2014/08/28
2,6-Anthracenyl(anthraquinonyl)-substituted difluoroboron dipyrromethenes: Synthesis, spectroscopy, electrochemistry and quantum chemical calculations 期刊论文
DYES AND PIGMENTS, 2014, 卷号: 107, 页码: 90-96
作者:  Xu, Liang;  Li, Yongjun;  Jiang, Runsheng;  Qin, Zhihong;  Li, Yuliang
收藏  |  浏览/下载：15/0  |  提交时间：2019/04/09
Calculation of state-to-state differential and integral cross sections for atom-diatom reactions with transition-state wave packets 期刊论文
journal of chemical physics, 2014, 卷号: 140, 期号: 23, 页码: 234110
作者:  Zhao, Bin;  Sun, Zhigang;  Guo, Hua
收藏  |  浏览/下载：25/0  |  提交时间：2015/11/16
A QM/MM study of the catalytic mechanism of aspartate ammonia lyase 期刊论文
journal of molecular graphics & modelling, 2014, 卷号: 51, 页码: 113-119
作者:  Zhang, Jing;  Liu, Yongjun
收藏  |  浏览/下载：15/0  |  提交时间：2014/12/19
Mixed quantum classical calculation of proton transfer reaction rates: From deep tunneling to over the barrier regimes 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 140, 期号: 17
作者:  Xie, Weiwei;  Xu, Yang;  Zhu, Lili;  Shi, Qiang
收藏  |  浏览/下载：10/0  |  提交时间：2019/04/09

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