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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 [6]
宁波材料技术与工程研... [1]
采集方式
OAI收割 [7]
内容类型
期刊论文 [7]
发表日期
2012 [7]
学科主题
物理化学 [7]
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发表日期:2012
学科主题:物理化学
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First principles investigation of electronic structure change and energy transfer by redox in inverse spinel cathodes LiNiVO4 and LiCoVO4
期刊论文
OAI收割
J. Mater. Chem., 2012, 期号: 22, 页码: 18968—18974
Li J(黎军)
;
Zhenlian Chen,a Jun Li*a and Zhiyong Zhangb
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  |  
浏览/下载:13/0
  |  
提交时间:2013/12/16
Anisotropic Charge Transport in Bisindenoanthrazoline-Based n-Type Organic Semiconductors
期刊论文
OAI收割
journal of physical chemistry c, 2012, 卷号: 116, 期号: 26, 页码: 13858-13864
作者:
Zhang, Xiao-Yu
;
Zhao, Guang-Jiu
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浏览/下载:12/0
  |  
提交时间:2013/10/11
Theoretical studies of ground and excited electronic states in a series of heteroleptic iridium complexes using density functional theory
期刊论文
OAI收割
international journal of quantum chemistry, 2012, 卷号: 112, 期号: 11, 页码: 2422-2428
作者:
Su, Yan
;
Kang, Li-Hua
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浏览/下载:54/0
  |  
提交时间:2013/10/11
absorption spectrum
emission properties
charge transfer
density functional calculations
FACILITATED PHOTOLYSIS OF 9-FLUORENOL IN ALCOHOLS BY EXCITED-STATE HYDROGEN BOND REORGANIZATION
期刊论文
OAI收割
journal of theoretical & computational chemistry, 2012, 卷号: 11, 期号: 3, 页码: 493-504
作者:
Liu, Yu-Hui
;
Zhou, Pan-Wang
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浏览/下载:14/0
  |  
提交时间:2013/10/11
The photolysis dynamics
9-fluorenol
time-dependent density functional theory
Recent density functional theory model calculations of drug metabolism by cytochrome P450
期刊论文
OAI收割
coordination chemistry reviews, 2012, 卷号: 256, 期号: 11-12, 页码: 1137-1150
作者:
Li, Dongmei
;
Wang, Yong
;
Han, Keli
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浏览/下载:14/0
  |  
提交时间:2013/10/11
Density functional theory
Compound I
Hydrogen atom transfer
Two-state reactivity
First-Principles Investigation of the Electronic and Conducting Properties of Oligothienoacenes and their Derivatives
期刊论文
OAI收割
chemistry-an asian journal, 2012, 卷号: 7, 期号: 5, 页码: 1032-1040
作者:
Huang, Jin-Dou
;
Wen, Shu-Hao
;
Han, Ke-Li
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  |  
浏览/下载:15/0
  |  
提交时间:2013/10/11
density functional calculations
oligothienoacenes
oxidation
semiconductors
substituent effects
Molecular Conformations and Dynamics on Surfaces of Gold Nanoparticles Probed with Multiple-Mode Multiple-Dimensional Infrared Spectroscopy
期刊论文
OAI收割
journal of physical chemistry c, 2012, 卷号: 116, 期号: 14, 页码: 7913-7924
作者:
Bian, Hongtao
;
Li, Jiebo
;
Chen, Hailong
;
Yuan, Kaijun
;
Wen, Xiewen
收藏
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浏览/下载:21/0
  |  
提交时间:2013/10/11