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科研机构
化学研究所 [9]
厦门大学 [2]
大连化学物理研究所 [2]
内容类型
期刊论文 [13]
发表日期
2014 [2]
2013 [1]
2012 [1]
2011 [2]
2010 [2]
2008 [1]
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浏览/检索结果:
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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
DENSITY-FUNCTIONAL THEORY
FRANCK-CONDON PRINCIPLE
FLUORESCENT PROTEINS
POLYATOMIC-MOLECULES
EXCITATION PROFILES
INCLUDING DUSCHINSKY
VIBRONIC TRANSITIONS
DYNAMICAL SYMMETRY
INTENSITY ANALYSIS
RESPONSE FUNCTIONS
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
DENSITY-FUNCTIONAL THEORY
TAMM-DANCOFF APPROXIMATION
FRANCK-CONDON PRINCIPLE
POLYATOMIC-MOLECULES
VIBRONIC TRANSITIONS
DYNAMICAL SYMMETRY
SCATTERING
ABSORPTION
SPECTROSCOPY
INTENSITIES
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
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  |  
浏览/下载:16/0
  |  
提交时间:2019/04/09
Proton Coupled Electron Transfer
Duschinsky Rotation Effect
Vibrational Coherence
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
Radiative Rate
Non-radiative Rate
Vibration Correlation Function Method
Duschinsky Rotation
Herzberg-teller Effect
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
Duschinsky Rotation
Radiationless Decay
Correlation Function
Path Integral
Promoting-mode Free
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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