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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:62/0  |  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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Construction of Vibronic Diabatic Hamiltonian for Excited-State Electron and Energy Transfer Processes 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 50, 页码: 9567-9578
Authors:  Xie, yu;  Jiang, Shengshi;  Zheng, Jie;  Lan, Zhenggang
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Ultrafast Excited-State Energy Transfer in DTDCTB Dimers Embedded in a Crystal Environment: Quantum Dynamics with the Multilayer Multiconfigurational Time-Dependent Hartree Method 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 49, 页码: 27263-27273
Authors:  Jiang, Shengshi;  Zheng, Jie;  Xie, Yu;  Lan Zhenggang;  Lan, Zhenggang
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An insight into intrinsic interfacial properties between Li metals and Li10GeP2S12 solid electrolytes 期刊论文
Physical Chemistry Chemical Physics, 2017, 卷号: 19, 页码: 31436--31442
Authors:  Chen, Bingbing;  Ju, Jiangwei;  Ma, Jun;  Zhang, Jianjun;  Xiao, Ruijuan;  Cui, Guanglei;  Chen, Liquan
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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
Favorite  |  View/Download:173/0  |  Submit date:2017/12/04
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:92/0  |  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:111/0  |  Submit date:2017/06/13
有机光伏材料中光诱导过程的量子动力学研究 学位论文
, 北京: 中国科学院大学, 2016
Authors:  郑杰
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有机光伏材料  电子转移  单态裂解  非绝热动力学  Ml-mctdh