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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
Authors:  Yin, Zhengxi;  Guan, Yafu;  Fu, Bina;  Zhang, Dong H.
Favorite  |  View/Download:4/0  |  Submit date: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
Authors:  Shu, Yinan;  Kryven, Joanna;  Sampaio de Oliveira-Filho, Antonio Gustavo;  Zhang, Linyao;  Song, Guo-Liang;  Li, Shaohong L.;  Meana-Paeda, Ruben;  Fu, Bina;  Bowman, Joel M.;  Truhlar, Donald G.
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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
Authors:  Guan, Yafu;  Zhang, Dong H.;  Guo, Hua;  Yarkony, David R.
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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
Authors:  Zhou, Panwang;  Zhao, Li
Favorite  |  View/Download:11/0  |  Submit date:2019/06/20
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
Authors:  Wang, Heilong;  Yu, Yong;  Chang, Yao;  Su, Shu;  Yu, Shengrui;  Li, Qinming;  Tao, Kai;  Ding, Hongli;  Yang, Jaiyue;  Wang, Guanglei;  Che, Li;  He, Zhigang;  Chen, Zhichao;  Wang, Xingan;  Zhang, Weiqing;  Dai, Dongxu;  Wu, Guorong;  Yuan, Kaijun;  Yang, Xueming
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20
On the mechanism of non-radiative decay of blue fluorescent protein chromophore: New insight from the excited-state molecular dynamics simulations and potential energy calculations 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 186, 页码: 52-58
Authors:  Zhao, Li;  Liu, Jian-Yong;  Zhou, Pan-Wang
Favorite  |  View/Download:42/0  |  Submit date:2017/12/20
Nonadiabatic  Fluorescent Proteins  Excited State  Dynamics Simulation  
On the mechanism of non-radiative decay of blue fluorescent protein chromophore: New insight from the excited-state molecular dynamics simulations and potential energy calculations 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 186, 页码: 52-58
Authors:  Zhao, Li;  Liu, Jian-Yong;  Zhou, Pan-Wang
Favorite  |  View/Download:42/0  |  Submit date:2017/12/20
Nonadiabatic  Fluorescent Proteins  Excited State  Dynamics Simulation  
Excited-state deactivation of 5-vinyluracil: Effects of pi-pi conjugation and intramolecular hydrogen bond C-H center dot center dot center dot O=C 期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2016, 卷号: 330, 页码: 1-7
Authors:  Liu, Yan;  Yang, Songqiu
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20
Uracil  Derivatives  Conjugation Effect  Intramolecular Hydrogen Bond  Excited-state Lifetimes  Conical Intersections  
New Insight into the Photoisomerization Process of the Salicylidene Methylamine under Vacuum 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 卷号: 120, 期号: 38, 页码: 7419-7426
Authors:  Zhao, Li;  Liu, Jianyong;  Zhou, Panwang
Favorite  |  View/Download:7/0  |  Submit date:2019/06/20
Excited state non-adiabatic dynamics of pyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 7
Authors:  Wu, Guorong;  Neville, Simon P.;  Schalk, Oliver;  Sekikawa, Taro;  Ashfold, Michael N. R.;  Worth, Graham A.;  Stolow, Albert
Favorite  |  View/Download:16/0  |  Submit date:2015/11/17