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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
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大连化学物理研究所 [26]
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期刊论文 [46]
会议论文 [1]
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浏览/检索结果:
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Water in confinement of epoxy layer and hydroxylated (001) gamma-alumina: An atomistic simulation view
期刊论文
OAI收割
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 307, 页码: 10
作者:
Soleymanibrojeni, Mohammad
;
Shi, Hongwei
;
Liu, Fuchun
;
Han, En-Hou
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2021/02/02
Water at interface
Subdiffusion behavior
Power spectra
RDF
SDF
Hydrogen bond energy
Water in confinement of epoxy layer and hydroxylated (001) gamma-alumina: An atomistic simulation view
期刊论文
OAI收割
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 307, 页码: 10
作者:
Soleymanibrojeni, Mohammad
;
Shi, Hongwei
;
Liu, Fuchun
;
Han, En-Hou
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2021/02/02
Water at interface
Subdiffusion behavior
Power spectra
RDF
SDF
Hydrogen bond energy
A time-dependent density functional theory study on the excited state behavior of a novel T-2(OH)B molecule
期刊论文
OAI收割
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8
作者:
Jia, Min
;
Song, Xiaoyan
;
Yang, Xiaohui
;
Yang, Dapeng
  |  
收藏
  |  
浏览/下载:65/0
  |  
提交时间:2019/12/02
charge distribution
ESIPT
intramolecular hydrogen bond
potential energy curve
Theoretical elaboration about the excited state dynamical behaviors for a novel fluorescent sensor
期刊论文
OAI收割
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
  |  
收藏
  |  
浏览/下载:82/0
  |  
提交时间:2019/06/20
charge redistribution
ESIPT
intramolecular hydrogen bond
potential energy curves
Theoretical exploration about excited state proton transfer mechanism for a series of phenol-quinoline compounds
期刊论文
OAI收割
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 4, 页码: 371-376
作者:
Zhang, Tianjie
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
;
Yang, Dapeng
  |  
收藏
  |  
浏览/下载:67/0
  |  
提交时间:2019/06/25
ESIPT
intramolecular hydrogen bond
IR spectra
MOs
potential energy curves
The excited state hydrogen bond and proton transfer mechanism of a novel dye CS-Azine
期刊论文
OAI收割
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:28/0
  |  
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
iSwitch采集
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:39/0
  |  
提交时间:2019/05/08
Charge redistribution
Intramolecular hydrogen bond
Potential energy curves
A theoretical study on the excited-state intramolecular proton transfer mechanism of 4-dimethylaminoflavonol chemosensor
期刊论文
OAI收割
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 1, 页码: 49-55
作者:
Song, Xiaoyan
;
Zhang, Qiaoli
;
Lv, Jian
;
Yang, Guang
;
Jia, Min
  |  
收藏
  |  
浏览/下载:94/0
  |  
提交时间:2019/06/20
charge transfer
ESIPT
intramolecular hydrogen bond
potential energy curves
A detailed theoretical study on the excited-state hydrogen-bonding dynamics and the proton transfer mechanism for a novel white-light fluorophore
期刊论文
OAI收割
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 1, 页码: 56-61
作者:
Yang, Dapeng
;
Gao, Haiyan
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
  |  
收藏
  |  
浏览/下载:57/0
  |  
提交时间:2019/06/20
frontier molecular orbital
infrared spectra
intramolecular hydrogen bond
potential energy curves
proton transfer
A theoretical study on the excited-state intramolecular proton transfer mechanism of 4-dimethylaminoflavonol chemosensor
期刊论文
iSwitch采集
Journal of the chinese chemical society, 2019, 卷号: 66, 期号: 1, 页码: 49-55
作者:
Lv, Jian
;
Yang, Guang
;
Jia, Min
;
Zhao, Jinfeng
;
Song, Xiaoyan
收藏
  |  
浏览/下载:92/0
  |  
提交时间:2019/05/08
Charge transfer
Esipt
Intramolecular hydrogen bond
Potential energy curves