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科研机构
化学研究所 [13]
厦门大学 [2]
北京大学 [2]
长春应用化学研究所 [1]
内容类型
期刊论文 [18]
发表日期
2014 [1]
2012 [4]
2011 [1]
2004 [2]
2003 [1]
2002 [1]
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浏览/检索结果:
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From charge transport parameters to charge mobility in organic semiconductors through multiscale simulation
期刊论文
CHEMICAL SOCIETY REVIEWS, 2014, 卷号: 43, 期号: 8, 页码: 2662-2679
作者:
Shuai, Zhigang
;
Geng, Hua
;
Xu, Wei
;
Liao, Yi
;
Andre, Jean-Marie
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2019/04/09
From Molecules to Materials: Molecular and Crystal Engineering Design of Organic Optoelectronic Functional Materials for High Carrier Mobility
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 卷号: 116, 期号: 1, 页码: 1195-1199
作者:
Chang, Ying-fei
;
Lu, Zhong-yuan
;
An, Li-jia
;
Zhang, Jing-ping
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/04/09
Fascinating effect of dehydrogenation on the transport properties of N-heteropentacenes: transformation from p- to n-type semiconductor
期刊论文
JOURNAL OF MATERIALS CHEMISTRY, 2012, 卷号: 22, 期号: 35, 页码: 18181-18191
作者:
Tang, Xiao-Dan
;
Liao, Yi
;
Geng, Hua
;
Shuai, Zhi-Gang
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/04/09
DFT and Experimental Exploration of the Mechanism of InCl3-Catalyzed Type II Cycloisomerization of 1,6-Enynes: Identifying InCl2+ as the Catalytic Species and Answering Why Nonconjugated Dienes Are Generated
期刊论文
journal of organic chemistry, 2012
Zhuo, Lian-Gang
;
Zhang, Ji-Ji
;
Yu, Zhi-Xiang
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/11/11
3+2 CYCLOADDITION REACTIONS
CARBONYL-ENE REACTIONS
SKELETAL REORGANIZATION
PTCL2-MEDIATED CYCLOISOMERIZATION
POLYFUNCTIONALIZED 1,6-ENYNES
ELECTROPHILIC ACTIVATION
COORDINATION-COMPOUNDS
IN(III)-PYBOX COMPLEX
PROPARGYLIC ESTERS
GOLD(I) COMPLEXES
From Molecules to Materials: Molecular and Crystal Engineering Design of Organic Optoelectronic Functional Materials for High Carrier Mobility
期刊论文
journal of physical chemistry c, 2012, 卷号: 116, 期号: 1, 页码: 1195-1199
Chang YF
;
Lu ZY
;
An LJ
;
Zhang JP
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2013/06/09
FIELD-EFFECT TRANSISTORS
VIBRATIONAL REORGANIZATION ENERGY
CHARGE-TRANSPORT
HETEROCYCLIC OLIGOMERS
CONJUGATED OLIGOMERS
HOPPING TRANSPORT
ELECTRON-TRANSFER
HOLE MOBILITIES
SEMICONDUCTORS
PARAMETERS
Theoretical study of substitution effects on molecular reorganization energy in organic semiconductors
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2011, 卷号: 135, 期号: 10
作者:
Geng, Hua
;
Niu, Yingli
;
Peng, Qian
;
Shuai, Zhigang
;
Coropceanu, Veaceslav
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/04/09
Charge transfer in the electron donor-acceptor complex BH3NH3
期刊论文
http://dx.doi.org/10.1021/ja039778l, 2004
Mo, YR
;
Song, LC
;
Wu, W
;
Zhang, QN
;
吴玮
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2013/12/12
VALENCE-BOND THEORY
ENERGY DECOMPOSITION ANALYSIS
ACID-BASE COMPLEXES
INTERNAL-ROTATION BARRIERS
DENSITY-FUNCTIONAL THEORY
AB-INITIO
MOLECULAR-INTERACTIONS
INTERMOLECULAR INTERACTIONS
STAGGERED CONFORMATION
COMPARATIVE G2(MP2)
Charge transfer in the electron donor-acceptor complex BH3NH3
期刊论文
http://dx.doi.org/10.1021/ja039778l, 2004
Mo, Y. R.
;
Song, L. C.
;
Wu, W.
;
Zhang, Q. N.
;
张乾二
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2013/12/12
VALENCE-BOND THEORY
ENERGY DECOMPOSITION ANALYSIS
ACID-BASE COMPLEXES
INTERNAL-ROTATION BARRIERS
DENSITY-FUNCTIONAL THEORY
AB-INITIO
MOLECULAR-INTERACTIONS
INTERMOLECULAR INTERACTIONS
STAGGERED CONFORMATION
COMPARATIVE G2(MP2)
Studies of the solvent effects on the internal reorganization energy for electron transfer of uracil and its anion with ONIOM
期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2003, 卷号: 624, 页码: 169-176
作者:
Zhang, RB
;
Zhang, XD
;
Qu, ZW
;
Ai, XC
;
Zhang, XK
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/04/09
Solvent Effect
Internal Reorganization Energy Of Electron Transfer
Electron Affinity
Uracil-water Hydration Complex
Oniom
Internal reorganization energy contributed by torsional motion in electron transfer reaction between biphenyl and biphenyl anion radical
期刊论文
中国化学英文版, 2002
Min, W
;
Sun, L
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  |  
浏览/下载:3/0
  |  
提交时间:2015/11/13
multiple step relaxation Nelson method
internal reorganization energy
torsional motion
biphenyl molecule
electron transfer
MOLECULAR-ORBITAL CALCULATIONS
AB-INITIO
INVERTED REGION
MATRIX-ELEMENTS
BARRIER
SYSTEMS
SOLVENT
DERIVATIVES
TRANSPORT
DISTANCE
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