CORC

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CORC

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Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited (2)sigma(+) state of OH by molecular hydrogen 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 151, 期号: 10, 页码: 25
作者:  Shu, Yinan;  Kryven, Joanna;  Sampaio de Oliveira-Filho, Antonio Gustavo;  Zhang, Linyao;  Song, Guo-Liang
收藏  |  浏览/下载：61/0  |  提交时间：2019/12/02
Effect of hydrogen bond on solvation dynamics of coumarin153 in cyclohexane-phenol solvent mixtures by time-resolved optical Kerr fluorescence 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 219, 页码: 68-73
作者:  Liu, Dunli;  Chen, Anmin;  Sui, Laizhi;  Li, Suyu;  Ke, Da
收藏  |  浏览/下载：192/0  |  提交时间：2019/12/02
Theoretical study of the formation mechanism of sulfur-containing gases in the CO2 gasification of lignite 期刊论文
FUEL, 2019, 卷号: 242, 页码: 398-407
作者:  Tian, Yan;  Chen, Shi-Yun;  Ding, Jun-Xia;  Li, Guang-Yue;  Wang, Jie-Ping
收藏  |  浏览/下载：51/0  |  提交时间：2019/06/20
Theoretical study of the formation mechanism of sulfur-containing gases in the co2 gasification of lignite 期刊论文
Fuel, 2019, 卷号: 242, 页码: 398-407
作者:  Chen, Shi-Yun;  Ding, Jun-Xia;  Li, Guang-Yue;  Wang, Jie-Ping;  Tian, Yan
收藏  |  浏览/下载：97/0  |  提交时间：2019/05/08
Integrating Multiple Accelerated Molecular Dynamics To Improve Accuracy of Free Energy Calculations 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2018, 卷号: 14, 期号: 3, 页码: 1216-1227
作者:  Peng, Xiangda;  Zhang, Yuebin;  Li, Yan;  Liu, QingLong;  Chu, Huiying
收藏  |  浏览/下载：26/0  |  提交时间：2019/06/20
An Exact Propagator for Solving the Triatomic Reactive Schrodinger Equation 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 30, 期号: 6, 页码: 761-770
作者:  Li, Xue-ming;  Sun, Zhi-gang
收藏  |  浏览/下载：21/0  |  提交时间：2019/06/20
Evaluate the ability of PVP to inhibit crystallization of amorphous solid dispersions by density functional theory and experimental verify 期刊论文
EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, 2017, 卷号: 96, 页码: 45-52
作者:  
收藏  |  浏览/下载：26/0  |  提交时间：2017/10/29
Understanding enzyme reactions using enhanced sampling techniques 期刊论文
MOLECULAR SIMULATION, 2016, 卷号: 42, 期号: 10, 页码: 846-854
作者:  Cao, Liaoran;  Cheng, Liwei;  Tang, Tianbao;  Liu, Jiahui;  Zhang, Depeng
收藏  |  浏览/下载：20/0  |  提交时间：2019/06/20
GQSD: The Program for the Graphic Processing Units Accelerated Quantum Scattering Dynamics 期刊论文
international journal of quantum chemistry, 2015, 卷号: 115, 期号: 11, 页码: 738-743
作者:  Zhang, Pei-Yu;  Han, Ke-Li
收藏  |  浏览/下载：226/0  |  提交时间：2015/11/17
Dynamics of Highly Excited Nitroaromatics 期刊论文
journal of physical chemistry a, 2010, 卷号: 114, 期号: 50, 页码: 12972-12978
作者:  Wang, Bingxing;  Liu, Benkang;  Wang, Yanqiu;  Wang, Li
收藏  |  浏览/下载：13/0  |  提交时间：2015/11/12

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