中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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  • 2011 [184]
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Studies on the reaction pathway of arsenate adsorption at water-TiO2 interfaces using density functional theory 期刊论文  OAI收割
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2011, 卷号: 364, 期号: 2, 页码: 476—481
He, Guangzhi; Pan, Gang; Zhang, Meiyi
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Theoretical studies on the intra- and intermolecular C-H activation by T-shaped pincer complexes 期刊论文  OAI收割
journal of organometallic chemistry, 2011, 卷号: 696, 期号: 25, 页码: 4064-4069
作者:  
Feng, Yifan;  Wang, Changsheng;  Fan, Hongjun
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[Re(CO)(3)Cl]-Chelation-Mediated Electronic Coupling between Two Amine Redox Sites through the 5,5 '-Positions of 2,2 '-Bipyridine 期刊论文  OAI收割
CHEMISTRY-AN ASIAN JOURNAL, 2011, 卷号: 6, 期号: 12, 页码: 3322-3327
作者:  
Nie, Hai-Jing;  Yao, Chang-Jiang;  Yao, Jiannian;  Zhong, Yu-Wu
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The Heavier, the Better-Increased First Hyperpolarizabilities in M@Calix[4]pyrrole (M = Na and K) 期刊论文  OAI收割
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 2011, 卷号: 8, 期号: 12, 页码: 2482-2487
作者:  
Chen, Wei;  Yu, Guangtao;  Jin, Peng
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Stability and reactivity of active sites for direct benzene oxidation to phenol in Fe/ZSM-5: A comprehensive periodic DFT study 期刊论文  OAI收割
journal of catalysis, 2011, 卷号: 284, 期号: 2, 页码: 194-206
作者:  
Li, Guanna;  Pidko, Evgeny A.;  van Santen, Rutger A.;  Feng, Zhaochi;  Li, Can
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多脲受体合成及阴离子模板组装的研究 学位论文  OAI收割
博士: 中国科学院研究生院, 2011
李少光
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The Role of the n pi* (1)A(u) State in the Photoabsorption and Relaxation of Pyrazine 期刊论文  OAI收割
CHEMISTRY-AN ASIAN JOURNAL, 2011, 卷号: 6, 期号: 11, 页码: 2977-2985
作者:  
Lin, Chih-Kai;  Niu, Yingli;  Zhu, Chaoyuan;  Shuai, Zhigang;  Lin, Sheng Hsien
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All-optical discrete fourier transform processor 专利  OAI收割
专利号: WO2011134006A1, 申请日期: 2011-11-03, 公开日期: 2011-11-03
作者:  
LOWERY, ARTHUR, JAMES
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环肽及其类似物的构象和离子识别的理论研究  学位论文  OAI收割
: 中国科学院研究生院, 2011
陈益山
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The structural stability of polyhydroxylated C-60(OH)(24): Density functional theory characterizations 期刊论文  OAI收割
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2011, 卷号: 974, 期号: 1-3, 页码: 16-20
作者:  
He, Hongqing;  Zheng, Limin;  Jin, Peng;  Yang, Minghui
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