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CORC

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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
Does the wavelength dependent photoisomerization process of the p-coumaric acid come out from the electronic state dependent pathways? 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 211, 页码: 203-211
作者:  Liu, Jianyong;  Zhao, Li;  Zhou, Panwang
收藏  |  浏览/下载：67/0  |  提交时间：2019/06/20
Does the wavelength dependent photoisomerization process of the p-coumaric acid come out from the electronic state dependent pathways? 期刊论文
Spectrochimica acta part a-molecular and biomolecular spectroscopy, 2019, 卷号: 211, 页码: 203-211
作者:  Zhao, Li;  Liu, Jianyong;  Zhou, Panwang
收藏  |  浏览/下载：70/0  |  提交时间：2019/05/08
Ultrafast dynamics of water molecules excited to electronic (f)over-tilde states: a time-resolved photoelectron spectroscopy study 期刊论文
Chinese journal of chemical physics, 2019, 卷号: 32, 期号: 1, 页码: 53-58
作者:  Yang, Dong-yuan;  Min, Yan-jun;  Chen, Zhen;  He, Zhi-gang;  Chen, Zhi-chao
收藏  |  浏览/下载：75/0  |  提交时间：2019/05/08
Chlorine Passivation of Grain Boundary Suppresses Electron-Hole Recombination in CsPbBr3 Perovskite by Nonadiabatic Molecular Dynamics Simulation 期刊论文
ACS Applied Energy Materials, 2019, 卷号: 2, 页码: 3419-3426
作者:  Wang, Y.;  He, J.;  Yang, Y.;  Zhang, Z.;  Long, R.
收藏  |  浏览/下载：6/0  |  提交时间：2019/12/02
Ab initio nonadiabatic molecular dynamics investigations on the excited carriers in condensed matter systems 期刊论文
Wiley Interdisciplinary Reviews: Computational Molecular Science, 2019, 卷号: 9, 期号: 6
作者:  Zheng, Qijing;  Chu, Weibin;  Zhao, Chuanyu;  Zhang, Lili;  Guo, Hongli
收藏  |  浏览/下载：17/0  |  提交时间：2019/12/05
Ab initio nonadiabatic molecular dynamics investigations on the excited carriers in condensed matter systems 期刊论文
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2019, 卷号: 9, 期号: 6
作者:  Zheng, Qijing;  Chu, Weibin;  Zhao, Chuanyu;  Zhang, Lili;  Guo, Hongli
收藏  |  浏览/下载：7/0  |  提交时间：2019/12/05
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
Performance evaluation of the symmetrical quasi-classical dynamics method based on Meyer-Miller mapping Hamiltonian in the treatment of site-exciton models 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 149, 期号: 17, 页码: 14
作者:  Xie, Yu;  Zheng, Jie;  Lan, Zhenggang
收藏  |  浏览/下载：30/0  |  提交时间：2018/12/21

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