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大连化学物理研究所 [12]
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期刊论文 [44]
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Valine involved sulfuric acid-dimethylamine ternary homogeneous nucleation and its atmospheric implications
期刊论文
ATMOSPHERIC ENVIRONMENT, 2021, 卷号: 254
作者:
Liu, Ying
;
Liu, Yi-Rong
;
Feng, Ya-Juan
;
Huang, Teng
;
Jiang, Shuai
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2021/08/31
Nucleation mechanism
Amino acid
Topological analysis
Evaporation rate
Atmospheric relevance
Atomic Resonant Tunneling in the Surface Diffusion of H Atoms on Pt(111)
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2021, 卷号: 125
作者:
Bi, Cheng
;
Yang, Yong
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  |  
浏览/下载:14/0
  |  
提交时间:2021/04/26
Investigation on the excited state intramolecular proton transfer process for the novel 2-(3,5-dichloro-2-hydroxy-phenyl)-benzooxazole-5-carboxylicacid system
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 10, 页码: 9
作者:
Gao, Haiyan
;
Yang, Xiaohui
;
Zhang, Tianjie
;
Yang, Dapeng
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  |  
浏览/下载:79/0
  |  
提交时间:2019/12/02
charge density differences
charge redistribution
ESIPT
frontier molecular orbital
intramolecular hydrogen bond
Potential-Energy Surface and Dynamics Simulation of THBDBA: An Annulated Tetraphenylethene Derivative Combining Aggregation-Induced Emission and Switch Behavior
期刊论文
CHEMPHOTOCHEM, 2019, 卷号: 3, 期号: 9, 页码: 814-824
作者:
Ding, Wei-Lu
;
Peng, Xing-Liang
;
Cui, Gang-Long
;
Li, Ze-Sheng
;
Blancafort, Lluis
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  |  
浏览/下载:71/0
  |  
提交时间:2019/11/12
aggregation-induced emission
conical intersections
density functional calculations
dynamics simulations
photoswitches
A theoretical exploration and regulating about the excited state process for 2-(4-(diphenylamino)phenyl)-3-hydroxy-4H-chromen-4-one system
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 8
作者:
Wang, Yusheng
;
Zhang, Qiaoli
;
Xu, Kai
;
Jiang, Weifen
;
Yang, Dapeng
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  |  
浏览/下载:211/0
  |  
提交时间:2019/12/02
charge transfer
ESIPT
intramolecular hydrogen bond
solvent polarity
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
RSC ADVANCES, 2019, 卷号: 9, 期号: 40, 页码: 23004-23011
作者:
Yang, Dapeng
;
Zhang, Qiaoli
;
Song, Xiaoyan
;
Zhang, Tianjie
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  |  
浏览/下载:55/0
  |  
提交时间:2019/12/02
A time-dependent density functional theory study on the excited state behavior of a novel T-2(OH)B molecule
期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8
作者:
Jia, Min
;
Song, Xiaoyan
;
Yang, Xiaohui
;
Yang, Dapeng
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  |  
浏览/下载:56/0
  |  
提交时间:2019/12/02
charge distribution
ESIPT
intramolecular hydrogen bond
potential energy curve
Isospin equilibration in multinucleon transfer reaction at near-barrier energies
期刊论文
PHYSICAL REVIEW C, 2019, 卷号: 99, 页码: 034619
作者:
Li, Cheng
;
Sokhna, Cheikh A. T.
;
Xu, Xinxin
;
Li, Jingjing
;
Zhang, Gen
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  |  
浏览/下载:39/0
  |  
提交时间:2019/07/13
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
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
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