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科研机构
大连化学物理研究所 [18]
内容类型
期刊论文 [18]
发表日期
2017 [18]
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共18条,第1-10条
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发表日期:2017
内容类型:期刊论文
专题:大连化学物理研究所
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A theoretical assignment on excited-state intramolecular proton transfer mechanism for quercetin
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2017, 卷号: 30, 期号: 11
作者:
Yang, Dapeng
;
Yang, Guang
;
Zhao, Jinfeng
;
Zheng, Rui
;
Wang, Yusheng
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2017/12/20
AIM
ESIPT
IR vibrational spectra
MOs
potential energy curves
A theoretical assignment on excited-state intramolecular proton transfer mechanism for quercetin
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2017, 卷号: 30, 期号: 11
作者:
Yang, Guang
;
Zhao, Jinfeng
;
Zheng, Rui
;
Wang, Yusheng
;
Yang, Dapeng
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2017/12/20
AIM
ESIPT
IR vibrational spectra
MOs
potential energy curves
Hydrogen bonding and transportation properties of water confined in the single-walled carbon nanotube in the pulse-field
期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 686, 页码: 173-177
作者:
Zhou, Min
;
Hu, Ying
;
Liu, Jian-chuan
;
Cheng, Ke
;
Jia, Guo-zhu
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2017/12/20
Molecular dynamics
Carbon nanotubes
Diffusivity
Hydrogen bonding
Hydrogen bonding and transportation properties of water confined in the single-walled carbon nanotube in the pulse-field
期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 686, 页码: 173-177
作者:
Hu, Ying
;
Zhou, Min
;
Liu, Jian-chuan
;
Cheng, Ke
;
Jia, Guo-zhu
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2017/12/20
Molecular dynamics
Carbon nanotubes
Diffusivity
Hydrogen bonding
Hydrogen bond based smart polymer for highly selective and tunable capture of multiply phosphorylated peptides
期刊论文
NATURE COMMUNICATIONS, 2017, 卷号: 8
作者:
Qing, Guangyan
;
Lu, Qi
;
Li, Xiuling
;
Liu, Jing
;
Ye, Mingliang
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2017/12/19
Hydrogen bond based smart polymer for highly selective and tunable capture of multiply phosphorylated peptides
期刊论文
NATURE COMMUNICATIONS, 2017, 卷号: 8
作者:
Qing, Guangyan
;
Lu, Qi
;
Li, Xiuling
;
Sun, Taolei
;
Liu, Jing
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2017/12/19
Covalent-bonding to irreducible SiO2 leads to high-loading and atomically dispersed metal catalysts
期刊论文
JOURNAL OF CATALYSIS, 2017, 卷号: 353, 页码: 315-324
作者:
Wen, Xiaodong
;
You, Rui
;
Zheng, Hongyan
;
Zhang, Bin
;
Li, Yong-Wang
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2017/12/19
Heterogeneous catalysis
Hydrogenation
Metal oxides
Covalent bonding
Silica
SiO2
A theoretical study about excited state behaviour for imide compound N-cyclohexyl-3-hydroxyphthalimide and 3,6-dihydroxy-N-cyclohexylphthalimide
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2017, 卷号: 241, 页码: 1003-1008
作者:
Song, Nahong
;
Yang, Dapeng
;
Zhao, Jinfeng
;
Yang, Guang
;
Zheng, Rui
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2017/12/19
Hydrogen bond
Frontier molecular orbitals
ESIPT
Potential energy surface
A DFT/TDDFT Study on Excited State Process of a Novel Probe 4'-Fluoroflavonol
期刊论文
JOURNAL OF CLUSTER SCIENCE, 2017, 卷号: 28, 期号: 5, 页码: 2449-2460
作者:
Yang, Dapeng
;
Yang, Guang
;
Zhao, Jinfeng
;
Zheng, Rui
;
Wang, Yusheng
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2017/12/20
TDDFT
ESIPT
Absorption and fluorescence spectra
Potential energy curve
A theoretical study about excited state behaviour for imide compound N-cyclohexyl-3-hydroxyphthalimide and 3,6-dihydroxy-N-cyclohexylphthalimide
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2017, 卷号: 241, 页码: 1003-1008
作者:
Yang, Dapeng
;
Zhao, Jinfeng
;
Yang, Guang
;
Song, Nahong
;
Zheng, Rui
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2017/12/19
Hydrogen bond
Frontier molecular orbitals
ESIPT
Potential energy surface
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