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CORC

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Two-state diabatic potential energy surfaces of ClH2 based on nonadiabatic couplings with neural networks 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 36, 页码: 20372-20383
作者:  Yin, Zhengxi;  Guan, Yafu;  Fu, Bina;  Zhang, Dong H.
收藏  |  浏览/下载：43/0  |  提交时间：2019/12/02
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
Potential-Energy Surface and Dynamics Simulation of THBDBA: An Annulated Tetraphenylethene Derivative Combining Aggregation-Induced Emission and Switch Behavior 期刊论文
CHEMPHOTOCHEM, 2019, 卷号: 3, 期号: 9, 页码: 814-824
作者:  Ding, Wei-Lu;  Peng, Xing-Liang;  Cui, Gang-Long;  Li, Ze-Sheng;  Blancafort, Lluis
收藏  |  浏览/下载：71/0  |  提交时间：2019/11/12
Representation of coupled adiabatic potential energy surfaces using neural network based quasi-diabatic Hamiltonians: 1,2 (2)A ' states of LiFH 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 26, 页码: 14205-14213
作者:  Guan, Yafu;  Zhang, Dong H.;  Guo, Hua;  Yarkony, David R.
收藏  |  浏览/下载：32/0  |  提交时间：2019/12/02
How Does the O-6-Methylation Regulate the Excited-State Decay of Guanine Monomers 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2019, 卷号: 123, 期号: 1, 页码: 201-206
作者:  Zhou, Panwang;  Zhao, Li
收藏  |  浏览/下载：38/0  |  提交时间：2019/06/20
How does the o-6-methylation regulate the excited-state decay of guanine monomers 期刊论文
Journal of physical chemistry b, 2019, 卷号: 123, 期号: 1, 页码: 201-206
作者:  Zhou, Panwang;  Zhao, Li
收藏  |  浏览/下载：51/0  |  提交时间：2019/05/08
Two Conical Intersections Control Luminol Chemiluminescence 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2019, 卷号: 15, 页码: 1798-1805
作者:  Yue, Ling;  Liu, Ya-Jun
收藏  |  浏览/下载：2/0  |  提交时间：2019/11/19
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
作者:  Pang, Xiaojuan;  Jiang, Chenwei;  Qi, Yongnan;  Yuan, Ling;  Hu, Deping
收藏  |  浏览/下载：59/0  |  提交时间：2018/12/21
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
Photodissociation dynamics of H2O at 111.5 nm by a vacuum ultraviolet free electron laser 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 148, 期号: 12
作者:  Wang, Xingan;  Yu, Yong;  Chang, Yao;  Su, Shu;  Yu, Shengrui
收藏  |  浏览/下载：30/0  |  提交时间：2019/06/20

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