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科研机构
大连化学物理研究所 [8]
大连理工大学 [1]
内容类型
期刊论文 [9]
发表日期
2019 [3]
2018 [1]
2017 [3]
2014 [1]
2009 [1]
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Theoretical insights into excited-state process for the novel 2,3-bis[(4-diethylamino-2-hydroxybenzylidene)amino]but-2-enedinitrile system
期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8
作者:
Xu, Lei
;
Zhang, Tianjie
;
Yang, Dapeng
;
Zhang, Qiaoli
收藏
  |  
浏览/下载:53/0
  |  
提交时间:2019/12/02
charge redistribution
ESDPT
intramolecular hydrogen bonds
IR vibrational spectra
potential energy curves
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
收藏
  |  
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
收藏
  |  
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
Mechanism of Excited State Double Proton Transfer in 2-Amino-3-Methoxypyridine and Acetic Acid Complex
期刊论文
CHINESE PHYSICS LETTERS, 2018, 卷号: 35, 期号: 9, 页码: 3
作者:
Ren, Guang-Hua
;
Meng, Qing-Chi
;
Yang, Song-Qiu
;
Chu, Tian-Shu
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2019/06/20
A TDDFT study on the excited-state double proton transfer reaction of 8-hydroxyquinoline along a hydrogen-bonded bridge
期刊论文
NEW JOURNAL OF CHEMISTRY, 2017, 卷号: 41, 期号: 16, 页码: 8437-8442
作者:
Liu, Yu-Hui
;
Wang, Shi-Ming
;
Zhu, Chaoyuan
;
Lin, Sheng Hsien
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2017/12/19
A TDDFT study on the excited-state double proton transfer reaction of 8-hydroxyquinoline along a hydrogen-bonded bridge
期刊论文
NEW JOURNAL OF CHEMISTRY, 2017, 卷号: 41, 期号: 16, 页码: 8437-8442
作者:
Liu, Yu-Hui
;
Wang, Shi-Ming
;
Zhu, Chaoyuan
;
Lin, Sheng Hsien
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2017/12/19
A competitive excited state dynamical process for the 2,2 '-((1E,1 ' E)-((3,3 '-dimethyl-[1,1 '-biphenyl]-4,4 '-diyl)-bis(azanylylidene))bis(methanylylidene))-diphenol system
期刊论文
RSC ADVANCES, 2017, 卷号: 7, 期号: 3, 页码: 1299-1304
作者:
Wang, Yusheng
;
Yang, Dapeng
;
Yang, Guang
;
Zhao, Jinfeng
;
Zheng, Rui
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  |  
浏览/下载:14/0
  |  
提交时间:2017/10/29
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
Reconsideration of the excited-state double proton transfer (ESDPT) in 2-aminopyridine/acid systems: role of the intermolecular hydrogen bonding in excited states
期刊论文
physical chemistry chemical physics, 2009, 卷号: 11, 期号: 21, 页码: 4385-4390
作者:
Chai, Shuo
;
Zhao, Guang-Jiu
;
Song, Peng
;
Yang, Song-Qiu
;
Liu, Jian-Yong
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2010/11/30
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