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CORC

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Adsorption Structure and Coverage-Dependent Orientation Analysis of Sub-Monolayer Acetonitrile on TiO2(110) 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 29, 页码: 17915-17924
作者:  Zhang, Ruidan;  Dong, Jichao;  Luo, Ting;  Tang, Fujie;  Peng, Xingxing
收藏  |  浏览/下载：65/0  |  提交时间：2019/12/02
Origin of enhanced stability in thiocyanate substituted -FAPbI(3) analogues 期刊论文
SCIENCE CHINA-CHEMISTRY, 2019, 卷号: 62, 期号: 7, 页码: 866-874
作者:  Xu, Zhuo;  Chen, Ming;  Liu, Shengzhong (Frank)
收藏  |  浏览/下载：54/0  |  提交时间：2019/12/02
A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic Lipids 期刊论文
MOLECULES, 2018, 卷号: 23, 期号: 1
作者:  Chu, Huiying;  Peng, Xiangda;  Li, Yan;  Zhang, Yuebin;  Li, Guohui
收藏  |  浏览/下载：27/0  |  提交时间：2019/06/20
On the mechanism of non-radiative decay of blue fluorescent protein chromophore: New insight from the excited-state molecular dynamics simulations and potential energy calculations 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 186, 页码: 52-58
作者:  Zhao, Li;  Liu, Jian-Yong;  Zhou, Pan-Wang
收藏  |  浏览/下载：20/0  |  提交时间：2017/12/20
On the mechanism of non-radiative decay of blue fluorescent protein chromophore: New insight from the excited-state molecular dynamics simulations and potential energy calculations 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 186, 页码: 52-58
作者:  Zhao, Li;  Liu, Jian-Yong;  Zhou, Pan-Wang
收藏  |  浏览/下载：21/0  |  提交时间：2017/12/20
HCl dissociating on a rigid Au(111) surface: A six-dimensional quantum mechanical study on a new potential energy surface based on the RPBE functional 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 146, 期号: 16
作者:  Fu, Bina;  Liu, Tianhui;  Zhang, Dong H.
收藏  |  浏览/下载：13/0  |  提交时间：2017/10/29
Emergence of Solvent-Separated Na+-Cl- Ion Pair in Salt Water: Photoelectron Spectroscopy and Theoretical Calculations 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2017, 卷号: 8, 期号: 1, 页码: 13-20
作者:  Xu, Hong-Guang;  Zheng, Wei-Jun;  Hou, Gao-Lei;  Liu, Cheng-Wen;  Li, Ren-Zhong
收藏  |  浏览/下载：16/0  |  提交时间：2017/10/29
Molecular mechanism for the activation of Au-25(SCH2CH2Ph)(18) nanoclusters by imidazolium-based ionic liquids for catalysis 期刊论文
JOURNAL OF CATALYSIS, 2016, 卷号: 337, 页码: 72-79
作者:  Kim, Hyung J.;  Abroshan, Hadi;  Li, Gao;  Lin, Jizhi;  Jin, Rongchao
收藏  |  浏览/下载：19/0  |  提交时间：2019/06/20
Free Energy Simulations with the AMOEBA Polarizable Force Field and Metadynamics on GPU Platform 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2016, 卷号: 37, 期号: 6, 页码: 614-622
作者:  Zhang, Yuebin;  Li, Guohui;  Peng, Xiangda;  Chu, Huiying
收藏  |  浏览/下载：23/0  |  提交时间：2019/06/20
Modeling Vibrational Spectra of Ester Carbonyl Stretch in Water and DMSO Based on Molecular Dynamics Simulation 期刊论文
journal of physical chemistry b, 2015, 卷号: 119, 期号: 38, 页码: 12390-12396
作者:  Fang, Bin;  Wang, Tianjun;  Chen, Xian;  Jin, Tan;  Zhang, Ruiting
收藏  |  浏览/下载：11/0  |  提交时间：2015/11/17

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