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大连化学物理研究... [162]
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期刊论文 [160]
会议论文 [2]
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物理化学 [11]
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专题:大连化学物理研究所
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A TD-DFT investigation of the photo-induced excited state intramolecular proton transfer dynamics for the novel 5,5 '-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis(2-benzo[d]thiazol-2-yl)phenol) system
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 7
作者:
Yang, Dapeng
;
Song, Xiaoyan
;
Zhang, Tianjie
;
Gao, Haiyan
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浏览/下载:55/0
  |  
提交时间:2019/12/02
charge density difference
dual hydrogen bonds
electronic densities
infrared vibrational spectra
potential energy surfaces
Theoretical elaboration about the excited state dynamical behaviors for a novel fluorescent sensor
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 5, 页码: 7
作者:
Zhang, Tianjie
;
Zhang, Qiaoli
;
Lu, Xuemei
;
Jia, Min
;
Song, Xiaoyan
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浏览/下载:67/0
  |  
提交时间:2019/06/20
charge redistribution
ESIPT
intramolecular hydrogen bond
potential energy curves
Dynamics studies of O+ + H-2 -> OH+ + H reaction
期刊论文
ACTA PHYSICA SINICA, 2019, 卷号: 68, 期号: 8, 页码: 7
作者:
Yuan Mei-Ling
;
Li Wen-Tao
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  |  
浏览/下载:38/0
  |  
提交时间:2019/06/20
OH2+ system
reaction probability
integral cross section
differential cross section
Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: A theoretical investigation
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 210, 页码: 159-164
作者:
Song, Xiaoyan
;
Zhang, Tianjie
;
Zhang, Qiaoli
;
Yang, Dapeng
;
Yang, Guang
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  |  
浏览/下载:51/0
  |  
提交时间:2019/06/20
Dual intramolecular hydrogen bonds
Steady state spectra
Infrared vibrational spectra
Frontier molecular orbital
Charge density difference
Potential energy surface
Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: a theoretical investigation
期刊论文
Spectrochimica acta part a-molecular and biomolecular spectroscopy, 2019, 卷号: 210, 页码: 159-164
作者:
Yang, Dapeng
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
;
Zhang, Qiaoli
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  |  
浏览/下载:67/0
  |  
提交时间:2019/05/08
Dual intramolecular hydrogen bonds
Steady state spectra
Infrared vibrational spectra
Frontier molecular orbital
Charge density difference
Potential energy surface
Insights into the excited state dynamical process for 3-hydroxy-2-(5-(5-(5-(3-hydroxy-4-oxo-4H-chromen-2-yl)thiophen-2-yl)thiophen-2-yl)thiophen-2-yl)-4H-chromen-4-one
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 3, 页码: 8
作者:
Song, Xiaoyan
;
Wang, Yusheng
;
Yang, Guang
;
Jia, Min
;
Yang, Dapeng
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  |  
浏览/下载:45/0
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提交时间:2019/06/20
charge density difference
charge redistribution
ESIPT
intramolecular hydrogen bond
Insights into the excited state dynamical process for 3-hydroxy-2-(5-(5-(5-(3-hydroxy-4-oxo-4h-chromen-2-yl)thiophen-2-yl)thiophen-2-yl)thiophen-2-yl)-4h-chromen-4-one
期刊论文
Journal of physical organic chemistry, 2019, 卷号: 32, 期号: 3, 页码: 8
作者:
Wang, Yusheng
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
;
Zhang, Qiaoli
收藏
  |  
浏览/下载:51/0
  |  
提交时间:2019/05/08
Charge density difference
Charge redistribution
Esipt
Intramolecular hydrogen bond
The excited state hydrogen bond and proton transfer mechanism of a novel dye CS-Azine
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 2, 页码: 8
作者:
Zhang, Qiaoli
;
Yang, Dapeng
;
Jia, Min
;
Yang, Guang
;
Song, Xiaoyan
收藏
  |  
浏览/下载:22/0
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提交时间:2019/06/20
charge redistribution
intramolecular hydrogen bond
potential energy curves
The excited state hydrogen bond and proton transfer mechanism of a novel dye cs-azine
期刊论文
Journal of physical organic chemistry, 2019, 卷号: 32, 期号: 2, 页码: 8
作者:
Jia, Min
;
Yang, Guang
;
Song, Xiaoyan
;
Zhang, Qiaoli
;
Yang, Dapeng
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2019/05/08
Charge redistribution
Intramolecular hydrogen bond
Potential energy curves
The Sommerfeld ground-wave limit for a molecule adsorbed at a surface
期刊论文
SCIENCE, 2019, 卷号: 363, 期号: 6423, 页码: 158-+
作者:
Chen, Li
;
Lau, Jascha A.
;
Schwarzer, Dirk
;
Meyer, Jorg
;
Verma, Varun B.
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浏览/下载:31/0
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提交时间:2019/06/20
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