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Nonadiabatic dynamics simulation of photoisomerization mechanism of photoswitch azodicarboxamide: Hydrogen bonding effects 期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 236-239
作者:  Luo, Jian;  Liu, Yan
收藏  |  浏览/下载:30/0  |  提交时间:2019/06/20
Nonadiabatic dynamics simulation of photoisomerization mechanism of photoswitch azodicarboxamide: hydrogen bonding effects 期刊论文
Journal of photochemistry and photobiology a-chemistry, 2018, 卷号: 367, 页码: 236-239
作者:  Liu, Yan;  Luo, Jian
收藏  |  浏览/下载:27/0  |  提交时间:2019/05/08
Host-Guest and Photophysical Behavior of Ti8L12 Cube with Encapsulated [Ti(H2O)(6)] Species 期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2018, 卷号: 24, 期号: 54, 页码: 14358-14362
作者:  Zhang, Lei;  Zhang, Jian;  Zhu, Bang-Chang;  Fang, Wei-Hui;  Wang, Junhui
收藏  |  浏览/下载:35/0  |  提交时间:2019/06/20
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
作者:  Hu, Deping;  Xie, Yu;  Li, Xusong;  Li, Lingyue;  Lan, Zhenggang
收藏  |  浏览/下载:37/0  |  提交时间:2018/12/21


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