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科研机构
大连化学物理研究所 [30]
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期刊论文 [30]
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2019 [1]
2017 [6]
2016 [1]
2015 [4]
2014 [4]
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物理化学 [5]
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A theoretical study on a series of polycyclic conjugated hydrocarbons-dinaphthobenzo[1,2:4,5]dicyclobutadienes with tunable charge transport properties by controlling [N]phenylenes and (anti)aromaticity
期刊论文
JOURNAL OF MATERIALS CHEMISTRY C, 2019, 卷号: 7, 期号: 22, 页码: 6721-6727
作者:
Yin, Hang
;
Zheng, Daoyuan
;
Qiao, Yan
;
Chen, Xiaofang
收藏
  |  
浏览/下载:40/0
  |  
提交时间:2019/07/26
On the mechanism of non-radiative decay of blue fluorescent protein chromophore: New insight from the excited-state molecular dynamics simulations and potential energy calculations
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 186, 页码: 52-58
作者:
Zhao, Li
;
Liu, Jian-Yong
;
Zhou, Pan-Wang
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2017/12/20
Nonadiabatic
Fluorescent proteins
Excited state
Dynamics simulation
On the mechanism of non-radiative decay of blue fluorescent protein chromophore: New insight from the excited-state molecular dynamics simulations and potential energy calculations
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 186, 页码: 52-58
作者:
Zhao, Li
;
Liu, Jian-Yong
;
Zhou, Pan-Wang
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2017/12/20
Nonadiabatic
Fluorescent proteins
Excited state
Dynamics simulation
Charge-transfer mobility and electrical conductivity of PANI as conjugated organic semiconductors
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 147, 期号: 11
作者:
Zhang, Mingxing
;
Zhang, Yahong
;
Duan, Yuping
;
Song, Lulu
;
Zheng, Daoyuan
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2017/12/20
Charge-transfer mobility and electrical conductivity of PANI as conjugated organic semiconductors
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 147, 期号: 11
作者:
Zhang, Yahong
;
Duan, Yuping
;
Song, Lulu
;
Zheng, Daoyuan
;
Zhang, Mingxing
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2017/12/20
A Bunch-Like Tertiary Amine Grafted Polysulfone Membrane for VRFBs with Simultaneously High Proton Conductivity and Low Vanadium Ion Permeability
期刊论文
MACROMOLECULAR RAPID COMMUNICATIONS, 2017, 卷号: 38, 期号: 8
作者:
Wu, Chunxiao
;
Tan, Qinglong
;
Lu, Shanfu
;
Si, Jiangju
;
Wang, Haining
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2017/10/29
proton conductivity
tertiary amine
vanadium ion permeability
vanadium redox flow batteries
Effect of Methylation on the Photodynamical Behavior of Arylazoimidazoles: New Insight from Theoretical ab Initio Potential Energy Calculations and Molecular Dynamics Simulations
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 1, 页码: 141-150
作者:
Zhao, Li
;
Zhou, Panwang
;
Liu, Jianyong
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2017/10/29
Band Structure Engineering: Insights from Defects, Band Gap, and Electron Mobility, from Study of Magnesium Tantalate
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 卷号: 120, 期号: 13, 页码: 6930-6937
作者:
Liu, Taifeng
;
Li, Can
;
Dupuis, Michel
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  |  
浏览/下载:13/0
  |  
提交时间:2019/06/20
Anisotropic charge transport in flavonoids as organic semiconductors
期刊论文
molecular physics, 2015, 卷号: 113, 期号: 5, 页码: 521-528
作者:
Hou, Chunyuan
;
Chen, Xin
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2015/11/17
organic semiconductor
charge transport
anisotropic
flavonoid
The nature of photogenerated charge separation among different crystal facets of BiVO4 studied by density functional theory
期刊论文
physical chemistry chemical physics, 2015, 卷号: 17, 期号: 36, 页码: 23503-23510
作者:
Liu, Taifeng
;
Zhou, Xin
;
Dupuis, Michel
;
Li, Can
收藏
  |  
浏览/下载:43/0
  |  
提交时间:2015/11/17
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