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科研机构
大连理工大学 [18]
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期刊论文 [18]
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2019 [1]
2015 [1]
2014 [6]
2013 [2]
2011 [2]
2010 [2]
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专题:大连理工大学
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Theoretical Studies on the Fluorescence Enhancement of Benzaldehydes by Intermolecular Hydrogen Bonding
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2019, 卷号: 123, 页码: 884-890
作者:
Su, Yan
;
Li, Keyao
;
Yu, Xueke
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2019/12/02
Aldehydes
Chlorine compounds
Density functional theory
Energy gap
Excited states
Fluorescence
Methanol
Quenching, Fluorescence enhancement
Fluorescence quenching mechanism
Hydroxy groups
Intermolecular hydrogen bonding
Non-radiative transitions
Proximity effects
Theoretical study
Time dependent, Hydrogen bonds
Hydrogen-bonding dynamics of photoexcited coumarin 138 and 339 in protic methanol solution: Time-dependent density functional theory study
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2015, 卷号: 1061, 页码: 6-11
作者:
Chai, Shuo
;
Wang, Jing
;
Zhu, Shao-Ying
;
Cong, Shu-Lin
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/09
Hydrogen-bonded cluster
Excited-state dynamics
Time-dependent density functional theory
Red shift
Excited state intramolecular proton transfer and substituent effect of 10-hydroxybenzo[h]quinoline: A time-dependent density functional theory study
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2014, 卷号: 1034, 页码: 80-84
作者:
Chai, Shuo
;
Cong, Shu-Lin
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/09
Excited state intramolecular proton transfer
Hydrogen bond
Substituent effect
Time-dependent density functional theory
Experimental and Theoretical Investigation on Excited State Intramolecular Proton Transfer Coupled Charge Transfer Reaction of Baicalein
期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 27, 页码: 51-56
作者:
Hu, Shan-shan
;
Liu, Kun
;
Ding, Qian-qian
;
Peng, Wei
;
Chen, Mao-du
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/09
Excited state intramolecular proton transfer
Intramolecular charge transfer
Time-dependent density functional theory
Dark state
Baicalein
Investigation of excited-state intramolecular proton transfer coupled charge transfer reaction of paeonol
期刊论文
CANADIAN JOURNAL OF CHEMISTRY, 2014, 卷号: 92, 页码: 274-278
作者:
Hu, Shanshan
;
Liu, Kun
;
Li, Yuanzuo
;
Ding, Qianqian
;
Peng, Wei
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/09
excited state intramolecular proton transfer (ESIPT)
intramolecular charge transfer (ICT)
fluorescence
time-dependent density functional theory (TDDFT)
paeonol
Intermolecular hydrogen bond and twisted intramolecular charge transfer in excited state of fast violet B (FVB) in methanol solution
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2014, 卷号: 125, 页码: 67-72
作者:
Chai, Shuo
;
Cong, Shu-Lin
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/09
Twisted intramolecular charge transfer
Intermolecular hydrogen bond
Excited state dynamics
Time-dependent density functional theory
Time-Dependent Density Functional Theory Study on Electronic Excited-State Hydrogen Bonding of Benzonitrile in Methanol Solution
期刊论文
JOURNAL OF CLUSTER SCIENCE, 2014, 卷号: 25, 页码: 1019-1028
作者:
Yang, Dapeng
;
Qi, Ruiquan
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/09
Hydrogen bond
Benzonitrile (PhCN)
Time-dependent density functional theory (TDDFT)
Excitation energy difference (EED)
A TDDFT study of the excited-state intramolecular proton transfer of 1,3-bis(2-pyridylimino)-4,7-dihydroxyisoindole
期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2014, 卷号: 290, 页码: 109-115
作者:
Su, Yan
;
Chai, Shuo
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/09
Time-dependent density functional theory
Excited state double proton transfer (ESDPT)
Stepwise mechanism
Theoretical studies on how excited state hydrogen and coordination bonds affect luminescent properties of Metal Organic Framework Cu-4(L)4 center dot 2EtOH
期刊论文
INORGANIC CHEMISTRY COMMUNICATIONS, 2013, 卷号: 31, 页码: 69-73
作者:
Liu, Lei
;
Mi, Weihong
;
Hao, Ce
;
Qiu, Jieshan
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/12/11
Metal-organic frameworks
Luminescence
Time-dependent density functional theory
Hydrogen bond
Coordination bond
Multiple hydrogen bonding in excited states of aminopyrazine in methanol solution: Time-dependent density functional theory study
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2013, 卷号: 115, 页码: 39-44
作者:
Chai, Shuo
;
Yu, Jie
;
Han, Yong-Chang
;
Cong, Shu-Lin
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/11
Electronic excited state
Hydrogen bond strengthening
Time-dependent density functional theory
Internal conversion
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