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Ultrafast unidirectional chiral rotation in the Z-E photoisomerization of two azoheteroarene photoswitches 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 40, 页码: 25910-25917
Authors:  Pang, Xiaojuan;  Jiang, Chenwei;  Qi, Yongnan;  Yuan, Ling;  Hu, Deping;  Zhang, Xiuxing;  Zhao, Di;  Wang, Dongdong;  Lan, Zhenggang;  Li, Fuli
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Inclusion of Machine Learning Kernel Ridge Regression Potential Energy Surfaces in On-the-Fly Nonadiabatic Molecular Dynamics Simulation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2018, 卷号: 9, 期号: 11, 页码: 2725-2732
Authors:  Hu, Deping;  Xie, Yu;  Li, Xusong;  Li, Lingyue;  Lan, Zhenggang
Favorite  |  View/Download:19/0  |  Submit date:2018/12/21
非绝热动力学方法研究及应用 学位论文
, 北京: 中国科学院大学, 2018
Authors:  胡德平
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The behavior of hydroxide and hydronium ions at the hexadecane-water interface studied with second harmonic generation and zeta potential measurements 期刊论文
SOFT MATTER, 2017, 卷号: 13, 期号: 43, 页码: 7962-7968
Authors:  Gan, Wei;  Wu, Wei;  Yang, Fangyuan;  Hu, Deping;  Fang, Hui;  Lan, Zhenggang;  Yuan, Qunhui
Favorite  |  View/Download:42/0  |  Submit date:2017/12/22
Analysis of the Geometrical Evolution in On-the-Fly Surface-Hopping Nonadiabatic Dynamics with Machine Learning Dimensionality Reduction Approaches: Classical Multidimensional Scaling and Isometric Feature Mapping 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 10, 页码: 4611-4623
Authors:  Li, Xusong;  Xie, Yu;  Hu, Deping;  Lan, Zhenggang
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Nonadiabatic dynamics simulation of keto isocytosine: a comparison of dynamical performance of different electronic-structure methods 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 29, 页码: 19168-19177
Authors:  Hu, Deping;  Liu, Yan Fang;  Sobolewski, Andrzej L.;  Lan, Zhenggang
Favorite  |  View/Download:52/0  |  Submit date:2017/12/14
"Watching" the Dark State in Ultrafast Nonadiabatic Photoisomerization Process of a Light-Driven Molecular Rotary Motor 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 6, 页码: 1240-1249
Authors:  Pang, Xiaojuan;  Cui, Xueyan;  Hu, Deping;  Jiang, Chenwei;  Zhao, Di;  Lan, Zhenggang;  Li, Fuli
Favorite  |  View/Download:68/0  |  Submit date:2017/06/13
Nonadiabatic dynamics and photoisomerization of biomimetic photoswitches 期刊论文
CHEMICAL PHYSICS, 2015, 卷号: 463, 页码: 95-105
Authors:  Hu, Deping;  Huang, Jing;  Xie, Yu;  Yue, Ling;  Zhuang, Xuhui;  Lan, Zhenggang
Favorite  |  View/Download:163/0  |  Submit date:2016/01/14
Naip  Nonadiabatic Dynamics  Photoswitch  Photoisomerization  Surface Hopping  Semi-empirical Method  
Theoretical Analysis of Excited States and Energy Transfer Mechanism in Conjugated Dendrimers (vol 36, pg 151, 2015) 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2015, 卷号: 36, 期号: 29, 页码: 2208-2208
Authors:  Huang, Jing;  Du, Likai;  Hu, Deping;  Lan, Zhenggang
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非绝热动力学在仿生分子开关光异构化机理中的应用 学位论文
, 北京: 中国科学院大学, 2015
Authors:  胡德平
Adobe PDF(6962Kb)  |  Favorite  |  View/Download:109/2  |  Submit date:2016/06/07
光开关  非绝热动力学  Om2/mrci  Naip