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CORC

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A theoretical investigation on the structures of (NH3)center dot(H2SO4)center dot(H2O)(0-14) clusters 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2019, 卷号: 119, 期号: 7, 页码: 21
作者:  Xu, Zhen-Zhen;  Fan, Hong-Jun
收藏  |  浏览/下载：40/0  |  提交时间：2019/06/20
A theoretical investigation on the structures of (nh3)center dot(h2so4)center dot(h2o)(0-14) clusters 期刊论文
International journal of quantum chemistry, 2019, 卷号: 119, 期号: 7, 页码: 21
作者:  Xu, Zhen-Zhen;  Fan, Hong-Jun
收藏  |  浏览/下载：74/0  |  提交时间：2019/05/08
Ethylene glycol reforming on Pt(111): first-principles microkinetic modeling in vapor and aqueous phases 期刊论文
Catalysis Science & Technology, 2016, 卷号: 6, 期号: 23, 页码: 8242-8256
作者:  Lu, Jianmin;  Faheem, Muhammad;  Saleheen, Mohammad;  Heyden, Andreas
收藏  |  浏览/下载：15/0  |  提交时间：2017/10/29
Advancement of Polarizable Force Field and Its Use for Molecular Modeling and Design 期刊论文
advance in structural bioinformatics, 2015, 卷号: 827, 页码: 19-32
作者:  Xu, Peijun;  Wang, Jinguang;  Xu, Yong;  Chu, Huiying;  Liu, Jiahui
收藏  |  浏览/下载：29/0  |  提交时间：2015/11/17
Mechanisms of the PtCl2-Catalyzed Intramolecular Cyclization of o-Isopropyl-Substituted Aryl Alkynes for the Synthesis of Indenes and Comparison of Three sp(3) C-H Bond Activation Modes 期刊论文
JOURNAL OF ORGANIC CHEMISTRY, 2014, 卷号: 79, 期号: 12, 页码: 5684-5696
作者:  Wang, Yi;  Liao, Wei;  Huang, Genping;  Xia, Yuanzhi;  Yu, Zhi-Xiang
收藏  |  浏览/下载：20/0  |  提交时间：2019/06/20
Induced-fit docking and binding free energy calculation on furostanol saponins from Tupistra chinensis as epidermal growth factor receptor inhibitors 期刊论文
medicinal chemistry research, 2013, 卷号: 22, 期号: 10, 页码: 4970-4979
作者:  Luo, Hua-Jun;  Wang, Jun-Zhi;  Deng, Wei-Qiao;  Zou, Kun
收藏  |  浏览/下载：49/0  |  提交时间：2014/09/11
Binding Free Energy Estimation for Protein-Ligand Complex Based on MM-PBSA with Various Partial Charge Models 期刊论文
current pharmaceutical design, 2013, 卷号: 19, 期号: 12, 页码: 2293-2307
作者:  Fu, Ting;  Jin, Zhong;  Xiu, Zhilong;  Li, Guohui
收藏  |  浏览/下载：14/0  |  提交时间：2015/11/09
Understanding intermolecular C-F bond activation by a transient titanium neopentylidyne: experimental and theoretical studies on the competition between 1,2-CF bond addition and [2+2]-cycloaddition/beta-fluoride elimination 期刊论文
dalton transactions, 2013, 卷号: 42, 期号: 12, 页码: 4163-4174
作者:  Fan, Hongjun;  Fout, Alison R.;  Bailey, Brad C.;  Pink, Maren;  Baik, Mu-Hyun
收藏  |  浏览/下载：11/0  |  提交时间：2015/11/09
Metal Amidoboranes: Superior Double-Hydrogen-Transfer Agents in the Reduction of Ketones and Imines 期刊论文
chemistry-a european journal, 2012, 卷号: 18, 期号: 43, 页码: 13885-13892
作者:  Xu, Weiliang;  Wu, Guotao;  Yao, Wei;  Fan, Hongjun;  Wu, Jishan
收藏  |  浏览/下载：13/0  |  提交时间：2013/10/11
Determination of the Hydrogen-Bonding Induced Local Viscosity Enhancement in Room Temperature Ionic Liquids via Femtosecond Time-Resolved Depleted Spontaneous Emission 期刊论文
journal of physical chemistry a, 2011, 卷号: 115, 期号: 27, 页码: 7937-7947
作者:  Ma, Xiaonan;  Yan, Linyin;  Wang, Xuefei;  Guo, Qianjin;  Xia, Andong
收藏  |  浏览/下载：15/0  |  提交时间：2015/11/12

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