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期刊论文 [45]
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Why the lowest electronic excitations of rhodamines are overestimated by time-dependent density functional theory
期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2018, 卷号: 118, 期号: 23, 页码: 11
作者:
Zhou, Panwang
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浏览/下载:24/0
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提交时间:2019/06/20
ADC(2)
cyanine dyes
rhodamine dyes
TDDFT
XMCQDPT2
Why the lowest electronic excitations of rhodamines are overestimated by time-dependent density functional theory
期刊论文
International journal of quantum chemistry, 2018, 卷号: 118, 期号: 23, 页码: 11
作者:
Zhou, Panwang
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浏览/下载:42/0
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提交时间:2019/05/08
Adc(2)
Cyanine dyes
Rhodamine dyes
Tddft
Xmcqdpt2
A binding model study on TNP fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diy1)dibenzoic acid
期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 282-289
作者:
Yang, Yanqiang
;
Ma, Yinhua
;
Zhao, Jinfeng
;
Liu, Jianyong
;
Chu, Tianshu
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浏览/下载:122/0
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提交时间:2019/06/20
Binding model
Time-dependent density functional theory
Weak interactions
TNP sensing
Photoinduced electron transfer
Binding energy
Exploring and elaborating the excited state mechanism of a novel AIE material 2-(5-(4-carboxyphenyl)-2-hydroxyphenyl)benzothiazole
期刊论文
STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1767-1773
作者:
Zhang, Qiaoli
;
Zhao, Jinfeng
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
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浏览/下载:153/0
  |  
提交时间:2019/06/20
Intramolecular hydrogen bond
Frontier molecular orbital
Charge density difference
Excited state proton transfer
Transition state
Theoretical explorations about the excited state behaviors for two novel high efficient ESIPT compounds
期刊论文
STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1817-1823
作者:
Wang, Yusheng
;
Yang, Guang
;
Zhang, Qiaoli
;
Song, Xiaoyan
;
Yang, Dapeng
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  |  
浏览/下载:23/0
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提交时间:2019/06/20
Hydrogen bond
Charge density difference
ESIPT
Potential energy curves
Theoretical explorations about the excited state behaviors for two novel high efficient esipt compounds
期刊论文
Structural chemistry, 2018, 卷号: 29, 期号: 6, 页码: 1817-1823
作者:
Wang, Yusheng
;
Yang, Guang
;
Zhang, Qiaoli
;
Song, Xiaoyan
;
Yang, Dapeng
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浏览/下载:30/0
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提交时间:2019/05/08
Hydrogen bond
Charge density difference
Esipt
Potential energy curves
A binding model study on tnp fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diy1)dibenzoic acid
期刊论文
Journal of photochemistry and photobiology a-chemistry, 2018, 卷号: 367, 页码: 282-289
作者:
Ma, Yinhua
;
Zhao, Jinfeng
;
Liu, Jianyong
;
Yang, Yanqiang
;
Chu, Tianshu
收藏
  |  
浏览/下载:141/0
  |  
提交时间:2019/05/08
Binding model
Time-dependent density functional theory
Weak interactions
Tnp sensing
Photoinduced electron transfer
Binding energy
Competitive McLafferty-type rearrangements of sodium adduct of anti-2,3-dihydroxy-1-phenylpentane-1,4-dione compounds in tandem mass spectrometry
期刊论文
EUROPEAN JOURNAL OF MASS SPECTROMETRY, 2018, 卷号: 24, 期号: 6, 页码: 437-441
作者:
Zhang, Xiayan
;
Xu, Xu
;
Chen, Xinmeng
;
Chen, Lin
;
Xu, Xiaoying
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  |  
浏览/下载:17/0
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提交时间:2020/12/24
McLafferty-type rearrangement
sodium adduct
six-membered ring coordination
energy-resolved collision-induced dissociation
DFT calculation
Identifying the Role of Intramolecular Charge Transfer and Excited-State Proton Transfer in Fluorescence Mechanism for an Azido-Based Chemosensor
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 卷号: 122, 期号: 46, 页码: 26576-26583
作者:
Li, Yang
;
Zhao, Ningjiu
;
Jia, Yan
;
Li, Peng
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  |  
浏览/下载:31/0
  |  
提交时间:2019/06/20
Identifying the role of intramolecular charge transfer and excited-state proton transfer in fluorescence mechanism for an azido-based chemosensor
期刊论文
Journal of physical chemistry c, 2018, 卷号: 122, 期号: 46, 页码: 26576-26583
作者:
Zhao, Ningjiu
;
Li, Yang
;
Jia, Yan
;
Li, Peng
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  |  
浏览/下载:33/0
  |  
提交时间:2019/05/08
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