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浏览/检索结果: 共10条，第1-10条 帮助 限定条件 发表日期：2014     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Theoretical study on conformational features and cation-binding properties of a diquinone calix[4]arene 期刊论文 http://dx.doi.org/10.1080/10610278.2013.817675, 2014 Xia, Yong; Wang, Xueye; 夏泳 收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22 EFFECTIVE CORE POTENTIALS  MOLECULAR CALCULATIONS  PI INTERACTIONS  COMPLEXATION  RECEPTORS  RECOGNITION  REDOX  DFT  1,3-ALTERNATE  CALIXARENE   Effect of H2O on the hydrolysis of UF6 in the gas phase 期刊论文 分子结构杂志, 2014 Hu, Shao-Wen; Lin, Hao; Wang, Xiang-Yun; Chu, Tai-Wei 收藏  |  浏览/下载：2/0  |  提交时间：2015/11/10 Uranium hexafluoride  Hydrolysis  Relativistic density functional theory calculation  Water catalysis mechanism  URANIUM HEXAFLUORIDE  AB-INITIO  THEORETICAL MECHANISM  THERMODYNAMICS  WATER  ATMOSPHERE  PARTICLES  CHEMISTRY  DFT   Mechanisms and reactivity differences for cycloaddition of anhydride to alkyne catalyzed by palladium and nickel catalysts: Insight from density functional calculations 期刊论文 http://dx.doi.org/10.1021/jo501618k, 2014 Xie, Hujun; Sun, Qiang; Ren, Gerui; Cao, Zexing; 曹泽星 收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22 Carbon dioxide  Catalysis  Catalyst activity  Chemical bonds  Free energy  Hydrocarbons  Naphthalene  Nickel  Palladium   Design criteria for tetradentate phenanthroline-derived heterocyclic ligands to separate Am(III) from Eu(III) 期刊论文 SCIENCE CHINA-CHEMISTRY, 2014, 卷号: 57, 期号: 11, 页码: 1439-1448 作者:  Xiao CL(肖成梁);  Wu QY(吴群燕);  Wang CZ(王聪芝);  Xiao, CL;  Wu, QY 收藏  |  浏览/下载：21/0  |  提交时间：2016/04/08 minor actinide  lanthanide  phenanthroline  separation  DFT   Extraction complexes of Pu(IV) with carbamoylmethylphosphine oxide ligands: A relativistic density functional study 期刊论文 RADIOCHIMICA ACTA, 2014, 卷号: 102, 期号: 1-2, 页码: 77-86 作者:  Wang CZ(王聪芝);  Lan JH(蓝建慧);  Feng YX(冯一潇);  Wang, CZ;  Lan, JH 收藏  |  浏览/下载：25/0  |  提交时间：2016/04/08 Plutonium(IV)  Solvent extraction  CMPO  Ph-2 CMPO  Relativistic quantum chemistry   Quantum Chemistry Study of Uranium(VI), Neptunium(V), and Plutonium(IV,VI) Complexes with Preorganized Tetradentate Phenanthrolineamide Ligands 期刊论文 INORGANIC CHEMISTRY, 2014, 卷号: 53, 期号: 20, 页码: 10846-10853 作者:  Xiao CL(肖成梁);  Wu QY(吴群燕);  Wang CZ(王聪芝);  Xiao, CL;  Wu, QY 收藏  |  浏览/下载：14/0  |  提交时间：2016/04/08 Theoretical Investigation on Multiple Bonds in Terminal Actinide Nitride Complexes 期刊论文 INORGANIC CHEMISTRY, 2014, 卷号: 53, 期号: 18, 页码: 9607-9614 作者:  Wu QY(吴群燕);  Wang CZ(王聪芝);  Lan JH(蓝建慧);  Wu, QY;  Wang, CZ 收藏  |  浏览/下载：15/0  |  提交时间：2016/04/08 Understanding the Bonding Nature of Uranyl Ion and Functionalized Graphene: A Theoretical Study 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2014, 卷号: 118, 期号: 11, 页码: 2149-2158 作者:  Wu QY(吴群燕);  Lan JH(蓝建慧);  Wang CZ(王聪芝);  Wu, QY;  Lan, JH 收藏  |  浏览/下载：43/0  |  提交时间：2016/04/08 Understanding the Interactions of Neptunium and Plutonium Ions with Graphene Oxide: Scalar-Relativistic DFT Investigations 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2014, 卷号: 118, 期号: 44, 页码: 10273-10280 作者:  Wu QY(吴群燕);  Lan JH(蓝建慧);  王聪芝Wu, QY;  Lan, JH;  Wang, CZ 收藏  |  浏览/下载：13/0  |  提交时间：2016/04/08 Selective separation of Am(III) from Eu(III) by 2,9-Bis(dialkyl-1,2,4-triazin-3-yl)-1,10-phenanthrolines: a relativistic quantum chemistry study 期刊论文 RADIOCHIMICA ACTA, 2014, 卷号: 102, 期号: 10, 页码: 875-886 作者:  Xiao CL(肖成梁);  Wang CZ(王聪芝);  Lan JH(蓝建慧);  Xiao, CL;  Wang, CZ 收藏  |  浏览/下载：25/0  |  提交时间：2016/04/08 Minor actinide  Nitrogen heterocycles  BTBP  BTPhen  Density functional calculations