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科研机构
化学研究所 [44]
内容类型
期刊论文 [44]
发表日期
2015 [44]
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专题:化学研究所
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Computational Mechanistic Study of the Hydrogenation and Dehydrogenation Reactions Catalyzed by Cobalt Pincer Complexes
期刊论文
ORGANOMETALLICS, 2015, 卷号: 34, 期号: 24, 页码: 5716-5722
作者:
Jing, Yuanyuan
;
Chen, Xiangyang
;
Yang, Xinzheng
收藏
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浏览/下载:22/0
  |  
提交时间:2016/03/14
Fine-Tuning of Crystal Packing and Charge Transport Properties of BDOPV Derivatives through Fluorine Substitution
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2015, 卷号: 137, 期号: 50, 页码: 15947-15956
作者:
Dou, Jin-Hu
;
Zheng, Yu-Qing
;
Yao, Ze-Fan
;
Yu, Zhi-Ao
;
Lei, Ting
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浏览/下载:25/0
  |  
提交时间:2016/03/14
Theoretical study on the photodegradation reaction of deca-BDE in THF in the presence of furan
期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2015, 卷号: 135, 期号: 1
作者:
Pan, Lu
;
Zhang, Jiaxu
;
Bian, Wensheng
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  |  
浏览/下载:134/0
  |  
提交时间:2016/02/01
PBDEs
Photodegradation mechanism
pi-stacking interaction
Lone pair-pi interaction
Charge transfer state
Structure and spectroscopic characterization of tetrathia- and tetraselena[8]circulenes as a new class of polyaromatic heterocycles
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2015, 卷号: 151, 页码: 247-261
作者:
Minaeva, Valentina A.
;
Baryshnikov, Gleb V.
;
Minaev, Boris F.
;
Karaush, Nataliya N.
;
Xiong, Xiao-Dong
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2015/11/02
Circulene
FT-IR spectra
Raman spectra
UV-vis spectra
DFT calculations
Electronic transition
Structure and spectral and luminescence properties of the trinuclear zinc complex with (E)-5-((2,6-diethylphenylimino)methyl)-2-methylquinolin-8-ol: Experimental and DFT study
期刊论文
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY, 2015, 卷号: 60, 期号: 12, 页码: 1560-1567
作者:
Baryshnikova, A. T.
;
Minaev, B. F.
;
Baryshnikov, G. V.
;
Sun, Wen-Hua
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浏览/下载:14/0
  |  
提交时间:2016/01/12
A Luminescent Nitrogen-Containing Polycyclic Aromatic Hydrocarbon Synthesized by Photocyclodehydrogenation with Unprecedented Regioselectivity
期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2015, 卷号: 21, 期号: 49, 页码: 17973-17980
作者:
Gu, Xinggui
;
Wang, Hong
;
Roose, Jesse
;
He, Zikai
;
Zhou, Yue
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  |  
浏览/下载:32/0
  |  
提交时间:2016/02/01
aggregation
luminescence
optical waveguides
polycycles
regioselectivity
Three-Coordinate Iron(IV) Bisimido Complexes with Aminocarbene Ligation: Synthesis, Structure, and Reactivity
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2015, 卷号: 137, 期号: 44, 页码: 14196-14207
作者:
Wang, Lei
;
Hu, Lianrui
;
Zhang, Hezhong
;
Chen, Hui
;
Deng, Liang
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浏览/下载:11/0
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提交时间:2015/12/21
Correlating Cobalt Net Charges with Catalytic Activities of the 2-(Benzimidazolyl)-6-(1-aryliminoethyl) pyridylcobalt Complexes toward Ethylene Polymerization
期刊论文
MACROMOLECULAR REACTION ENGINEERING, 2015, 卷号: 9, 期号: 5, 页码: 473-479
作者:
Yang, Wenhong
;
Chen, Yan
;
Sun, Wen-Hua
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2016/01/18
2-(benzimidazolyl)-6-(1-aryliminoethyl)pyridine
cobalt complex
density functional theory
ethylene polymerization
net charge
QEq method
DFT simulation of the heteroannelated octatetraenes vibronic spectra with the Franck-Condon and Herzberg-Teller approaches including Duschinsky effect
期刊论文
CHEMICAL PHYSICS, 2015, 卷号: 459, 页码: 65-71
作者:
Karaush, Nataliya N.
;
Valiev, Rashid R.
;
Baryshnikov, Gleb V.
;
Minaev, Boris F.
;
Agren, Hans
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2015/11/02
Circulene
Vibronic effects
Heteroannelated octatetraenes
Franck-Condon factor
Herzberg-Teller approximation
Shpolsky spectra
Rational Design of Charge-Transfer Interactions in Halogen-Bonded Co-crystals toward Versatile Solid-State Optoelectronics
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2015, 卷号: 137, 期号: 34, 页码: 11038-11046
作者:
Zhu, Weigang
;
Zheng, Renhui
;
Zhen, Yonggang
;
Yu, Zhenyi
;
Dong, Huanli
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  |  
浏览/下载:38/0
  |  
提交时间:2015/10/26
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