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The cloud point phenomenon of ionic surfactants: A view from molecular dynamics and metadynamics simulation 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2018, 卷号: 269, 页码: 298-303
作者:  Liu, Guokui;  Feng, Jin;  Wang, Honglei;  Gao, Fengfeng;  Wei, Yaoyao;  Xia, Qiying;  Yuan, Shiling
收藏  |  浏览/下载：238/0  |  提交时间：2018/12/21
Molecular dynamics  Metadynamics simulations  Cloud point  Tetrabutylammonium dodecyl sulfate  
The Nonlinear Optimal Triggering Perturbation of the Kuroshio Large Meander and Its Evolution in a Regional Ocean Model 期刊论文
JOURNAL OF PHYSICAL OCEANOGRAPHY, 2018, 卷号: 48, 期号: 8, 页码: 1771-1786
作者:  Liu, Xia;  Mu, Mu;  Wang, Qiang
收藏  |  浏览/下载：207/0  |  提交时间：2018/12/21
North Pacific Ocean  Nonlinear dynamics  Forecasting techniques  Primitive equations model  Interdecadal variability  
Delocalized Impurity Phonon Induced Electron-Hole Recombination in Doped Semiconductors 期刊论文
NANO LETTERS, 2018, 卷号: 18, 期号: 3, 页码: 1592-1599
作者:  Zhang, Lili;  Zheng, Qijing;  Xie, Yu;  Lan, Zhenggang;  Prezhdo, Oleg V.;  Saidi, Wissam A.;  Zhao, Jin
收藏  |  浏览/下载：233/0  |  提交时间：2018/09/06
Semiconductor Doping  Electron-hole Recombination  Nonadiabaic Molecular Dynamics  Impurity-phonon Mode  
Ultrafast Electron Transfer with Symmetrical Quasi-classical Dynamics based on Mapping Hamiltonian and Quantum Dynamics based on ML-MCTDH 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 30, 期号: 6, 页码: 800-810
作者:  Zheng, Jie;  Xie, Yu;  Jiang, Sheng-shi;  Long, Yun-ze;  Ning, Xin;  Lan, Zheng-gang
收藏  |  浏览/下载：252/0  |  提交时间：2018/09/06
Mapping Hamiltonian  Semiclassical Dynamics  Nonadiabatic Dynamics  
Phonon-Assisted Ultrafast Charge Transfer at van der Waals Heterostructure Interface 期刊论文
NANO LETTERS, 2017, 卷号: 17, 期号: 10, 页码: 6435-6442
作者:  Zheng, Qijing;  Saidi, Wissam A.;  Xie, Yu;  Lan, Zhenggang;  Prezhdo, Oleg V.;  Petek, Hrvoje;  Zhao, Jin
收藏  |  浏览/下载：315/0  |  提交时间：2017/12/04
Van Der Waals Heterointeiface  Nonadiabatic Molecular Dynamics  Ultrafast Charge Transfer  
Controllable methane hydrate formation through trace carbon dioxidecharging 期刊论文
Fuel, 2017, 卷号: 203, 页码: 147-151
作者:  Song, Yuanmei;  Wang, Fei;  Liu, Guoqiang;  Luo, Shengjun;  Guo, Rongbo.;  Guo, Rongbo
Adobe PDF(2378Kb)  |  收藏  |  浏览/下载：394/202  |  提交时间：2018/01/04
Carbon Dioxide  Methane Hydrates  Dynamics  Controllable Hydrate Formation  
Temporal and spacial dynamics of bioenergy-related CO2 emissions and underlying forces analysis in China 期刊论文
RENEWABLE & SUSTAINABLE ENERGY REVIEWS, 2017, 卷号: 70, 页码: 1323-1330
作者:  Yang, Jing;  Song, Kaihui;  Hou, Jian;  Zhang, Peidong;  Wu, Jinhu
收藏  |  浏览/下载：244/0  |  提交时间：2017/06/13
Co2 Emission  Bioenergy  Impact Factors  Temporal And Spacial Dynamics  
Molecular dynamics simulations on tetraalkylammonium interactions with dodecyl sulfate micelles at the air/water interface 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2016, 卷号: 222, 页码: 1085-1090
作者:  Liu, Guokui;  Li, Ruoxue;  Wei, Yaoyao;  Gao, Fengfeng;  Wang, Honglei;  Yuan, Shiling;  Liu, Chengbu
收藏  |  浏览/下载：195/0  |  提交时间：2017/01/03
Molecular Dynamics  Tetrabutylammonium  Dodecyl Sulfate  Mixed Adsorption Layer  
Improving the activity of Trichoderma reesei cel7B through stabilizing the transition state 期刊论文
BIOTECHNOLOGY AND BIOENGINEERING, 2016, 卷号: 113, 期号: 6, 页码: 1171-1177
作者:  Wang, Yefei;  Song, Xiangfei;  Zhang, Shujun;  Li, Jingwen;  Shu, Zhiyu;  He, Chunyan;  Huang, Qingshan;  Yao, Lishan
收藏  |  浏览/下载：236/0  |  提交时间：2016/07/12
Cel7b  Transition State  Cellulase  Molecular Dynamics Simulation  Protein Engineering  
Nonadiabatic dynamics and photoisomerization of biomimetic photoswitches 期刊论文
CHEMICAL PHYSICS, 2015, 卷号: 463, 页码: 95-105
作者:  Hu, Deping;  Huang, Jing;  Xie, Yu;  Yue, Ling;  Zhuang, Xuhui;  Lan, Zhenggang
收藏  |  浏览/下载：382/0  |  提交时间：2016/01/14
Naip  Nonadiabatic Dynamics  Photoswitch  Photoisomerization  Surface Hopping  Semi-empirical Method