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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
大连化学物理研究所 [39]
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OAI收割 [30]
iSwitch采集 [9]
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期刊论文 [39]
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2019 [20]
2018 [10]
2017 [6]
2012 [1]
2010 [1]
2008 [1]
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共39条,第1-10条
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专题:大连化学物理研究所
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Investigation of the intramolecular hydrogen bonding interactions and excited state proton transfer mechanism for both Br-BTN and CN-BTN systems
期刊论文
OAI收割
RSC ADVANCES, 2019, 卷号: 9, 期号: 40, 页码: 23004-23011
作者:
Yang, Dapeng
;
Zhang, Qiaoli
;
Song, Xiaoyan
;
Zhang, Tianjie
  |  
收藏
  |  
浏览/下载:55/0
  |  
提交时间:2019/12/02
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
OAI收割
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 7
作者:
Yang, Dapeng
;
Song, Xiaoyan
;
Zhang, Tianjie
;
Gao, Haiyan
  |  
收藏
  |  
浏览/下载:54/0
  |  
提交时间:2019/12/02
charge density difference
dual hydrogen bonds
electronic densities
infrared vibrational spectra
potential energy surfaces
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:56/0
  |  
提交时间:2019/12/02
charge distribution
ESIPT
intramolecular hydrogen bond
potential energy curve
The investigation of proton transfer and fluorescence-sensing mechanisms of [2-(2-hydroxy-phenyl)-1H-benzoimidazol-5-yl]-phenyl-methanone
期刊论文
OAI收割
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 6, 页码: 583-588
作者:
Yang, Dapeng
;
Zhao, Zhongjian
;
Jia, Min
;
Song, Xiaoyan
;
Zhang, Qiaoli
  |  
收藏
  |  
浏览/下载:181/0
  |  
提交时间:2019/12/02
deprotonation
fluoride-triggered fluorescence response
intra and interhydrogen bonds
potential energy curves
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:67/0
  |  
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:54/0
  |  
提交时间:2019/06/25
ESIPT
intramolecular hydrogen bond
IR spectra
MOs
potential energy curves
Iridium Single-Atom Catalyst Performing a Quasi-homogeneous Hydrogenation Transformation of CO2 to Formate
期刊论文
OAI收割
CHEM, 2019, 卷号: 5, 期号: 3, 页码: 693-705
作者:
Huang, Yanqiang
;
Shao, Xianzhao
;
Yang, Xiaofeng
;
Xu, Jinming
;
Liu, Song
  |  
收藏
  |  
浏览/下载:60/0
  |  
提交时间:2019/06/20
Iridium single-atom catalyst performing a quasi-homogeneous hydrogenation transformation of co2 to formate
期刊论文
iSwitch采集
Chem, 2019, 卷号: 5, 期号: 3, 页码: 693-705
作者:
Shao, Xianzhao
;
Yang, Xiaofeng
;
Xu, Jinming
;
Liu, Song
;
Miao, Shu
收藏
  |  
浏览/下载:91/0
  |  
提交时间:2019/05/08
Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: A theoretical investigation
期刊论文
OAI收割
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
iSwitch采集
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:65/0
  |  
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