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大连化学物理研究所 [17]
化学研究所 [11]
武汉物理与数学研究所 [5]
厦门大学 [4]
北京大学 [2]
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期刊论文 [37]
会议论文 [2]
学位论文 [1]
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2015 [1]
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2013 [3]
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物理化学 [2]
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Excited state dynamics of molecules studied with femtosecond time-resolved mass spectrometry and photoelectron imaging
期刊论文
ACTA PHYSICA SINICA, 2018, 卷号: 67, 期号: 22, 页码: 16
作者:
Zhang Bing
;
Long Jin-You
;
Zhang Song
;
Tang Ying
;
Wang Yan-Mei
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2019/06/24
femtosecond time-resolved
mass spectrometry
photoelectron imaging
dynamics in excited states
Femtosecond time-resolved observation of butterfly vibration in electronically excited o-fluorophenol
期刊论文
SCIENTIFIC REPORTS, 2017, 卷号: 7
作者:
Long, Jinyou
;
Zhang, Bing
;
Ling, Fengzi
;
Li, Shuai
;
Song, Xinli
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  |  
浏览/下载:28/0
  |  
提交时间:2017/12/26
Detailed theoretical investigation on ESIPT process of pigment yellow 101
期刊论文
RSC ADVANCES, 2016, 卷号: 6, 期号: 64, 页码: 59389-59394
作者:
Zhang, Meixia
;
Zhou, Qiao
;
Du, Can
;
Ding, Yong
;
Song, Peng
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  |  
浏览/下载:14/0
  |  
提交时间:2019/06/20
The Charge Transfer Phenomenon in Benzene-Pyrene-Sulfoxide/Methanol System: Role of the Intermolecular Hydrogen Bond in Excited States
期刊论文
journal of cluster science, 2015, 卷号: 26, 期号: 5, 页码: 1463-1472
作者:
Zhao, Jinfeng
;
Chen, Junsheng
;
Song, Peng
;
Liu, Jianyong
;
Ma, Fengcai
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  |  
浏览/下载:19/0
  |  
提交时间:2015/11/17
Electronic spectra
Frontier molecular orbital
Intermolecular hydrogen bond
Infrared spectra
First order nonadiabatic coupling matrix elements between excited states: Implementation and application at the TD-DFT and pp-TDA levels
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 141, 期号: 24
作者:
Li, Zhendong
;
Suo, Bingbing
;
Liu, Wenjian
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  |  
浏览/下载:19/0
  |  
提交时间:2019/04/09
First-order nonadiabatic coupling matrix elements between excited states: A Lagrangian formulation at the CIS, RPA, TD-HF, and TD-DFT levels
期刊论文
journal of chemical physics, 2014
Li, Zhendong
;
Liu, Wenjian
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  |  
浏览/下载:3/0
  |  
提交时间:2015/11/12
DENSITY-FUNCTIONAL THEORY
TAMM-DANCOFF APPROXIMATION
CONICAL INTERSECTIONS
RESPONSE FUNCTIONS
PERTURBATION-THEORY
ENERGY DERIVATIVES
WAVE-FUNCTIONS
QUASI-ENERGY
First order nonadiabatic coupling matrix elements between excited states: Implementation and application at the TD-DFT and pp-TDA levels
期刊论文
journal of chemical physics, 2014
Li, Zhendong
;
Suo, Bingbing
;
Liu, Wenjian
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  |  
浏览/下载:3/0
  |  
提交时间:2015/11/11
CORRELATED MOLECULAR CALCULATIONS
DENSITY-FUNCTIONAL THEORY
GAUSSIAN-BASIS SETS
ENERGY DERIVATIVES
RESPONSE FUNCTIONS
WAVE-FUNCTIONS
PROGRAM PACKAGE
QUASI-ENERGY
BDF
Theoretical Insights into Intermolecular Hydrogen-Bonding Strengthening in Fluorenone-Methanol Complexes Induced by Electronic Excitation and Bulk Solvent Effect
期刊论文
http://dx.doi.org/10.1063/1674-0068/26/06/617-626, 2013
Sun, Chao
;
Liu, Jie
;
Liang, Wan-zhen
;
Zhao, Yi
;
刘婕
;
梁万珍
;
赵仪
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/07/22
DENSITY-FUNCTIONAL THEORY
INTRAMOLECULAR CHARGE-TRANSFER
TAMM-DANCOFF APPROXIMATION
EXCITED-STATE PROPERTIES
INFRARED-SPECTRA
DYNAMICS
MODEL
ENERGIES
4-DIMETHYLAMINOBENZONITRILE
FLUORESCENCE
Theory and algorithms for the excited states of large molecules and molecular aggregates
期刊论文
http://dx.doi.org/10.1007/s11426-013-4907-8, 2013
Liang, Wanzhen
;
Wu, Wei
;
梁万珍
;
吴玮
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  |  
浏览/下载:2/0
  |  
提交时间:2015/07/22
Algorithms
Calculations
Computational methods
Density functional theory
Electronic structure
Excited states
Hamiltonians
Molecular dynamics
Molecules
Photovoltaic cells
碳点参与的液相化学发光行为研究
学位论文
硕士, 北京: 中国科学院研究生院, 2013
作者:
狄帆
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  |  
浏览/下载:18/0
  |  
提交时间:2017/01/10
碳点
Carbon Nanodots
化学发光
Chemiluminescence
液相
liquid
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