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Aggregation Effects on the Optical Emission of 1,1,2,3,4,5-Hexaphenylsilole (HPS): A QM/MM Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2014, 卷号: 118, 期号: 39, 页码: 9094-9104
作者:  Zhang, Tian;  Jiang, Yuqian;  Niu, Yingli;  Wang, Dong;  Peng, Qian
收藏  |  浏览/下载:16/0  |  提交时间:2019/04/09
Assessment of mode-mixing and Herzberg-Teller effects on two-photon absorption and resonance hyper-Raman spectra from a time-dependent approach 期刊论文
http://dx.doi.org/10.1063/1.4867273, 2014
Ma, HuiLi; Zhao, Yi; Liang, WanZhen; 赵仪; 梁万珍
收藏  |  浏览/下载:5/0  |  提交时间:2015/07/22
Correlation Function Formalism for Triplet Excited State Decay: Combined Spin-Orbit and Nonadiabatic Couplings 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2013, 卷号: 9, 期号: 2, 页码: 1132-1143
作者:  Peng, Qian;  Niu, Yingli;  Shi, Qinghua;  Gao, Xing;  Shuai, Zhigang
收藏  |  浏览/下载:17/0  |  提交时间:2019/04/09
Time-Dependent Approach to Resonance Raman Spectra Including Duschinsky Rotation and Herzberg-Teller Effects: Formalism and Its Realistic Applications 期刊论文
http://dx.doi.org/10.1021/ct300640c, 2012
Ma, Huili; Liu, Jie; Liang, WanZhen; 梁万珍
收藏  |  浏览/下载:4/0  |  提交时间:2015/07/22
Theoretical study of radiative and non-radiative decay processes in pyrazine derivatives 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2011, 卷号: 135, 期号: 1
作者:  Deng, Chunmei;  Niu, Yingli;  Peng, Qian;  Qin, Anjun;  Shuai, Zhigang
收藏  |  浏览/下载:10/0  |  提交时间:2019/04/09
Theory of proton coupled electron transfer reactions: Assessing the Born-Oppenheimer approximation for the proton motion using an analytically solvable model 期刊论文
CHEMICAL PHYSICS, 2011, 卷号: 379, 期号: 1-3, 页码: 39-45
作者:  Zheng, Renhui;  Jing, Yuanyuan;  Chen, Liping;  Shi, Qiang
收藏  |  浏览/下载:16/0  |  提交时间:2019/04/09
Theory of Excited State Decays and Optical Spectra: Application to Polyatomic Molecules 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 卷号: 114, 期号: 30, 页码: 7817-7831
作者:  Niu, Yingli;  Peng, Qian;  Deng, Chunmei;  Gao, Xing;  Shuai, Zhigang
收藏  |  浏览/下载:13/0  |  提交时间:2019/04/09
Vibration correlation function formalism of radiative and non-radiative rates for complex molecules 期刊论文
CHEMICAL PHYSICS, 2010, 卷号: 370, 期号: 1-3, 页码: 215-222
作者:  Peng, Qian;  Niu, Yingli;  Deng, Chunmei;  Shuai, Zhigang
收藏  |  浏览/下载:15/0  |  提交时间:2019/04/09
Promoting-mode free formalism for excited state radiationless decay process with Duschinsky rotation effect 期刊论文
SCIENCE IN CHINA SERIES B-CHEMISTRY, 2008, 卷号: 51, 期号: 12, 页码: 1153-1158
作者:  Niu YingLi;  Peng Qian;  Shuai ZhiGang
收藏  |  浏览/下载:12/0  |  提交时间:2019/04/09
Toward quantitative prediction of molecular fluorescence quantum efficiency: Role of Duschinsky rotation 期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2007, 卷号: 129, 期号: 30, 页码: 9333-9339
作者:  Peng, Qian;  Yi, Yuanping;  Shuai, Zhigang;  Shao, Jiushu
收藏  |  浏览/下载:18/0  |  提交时间:2019/04/09


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