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浏览/检索结果: 共13条，第1-10条 帮助 限定条件 发表日期：2013    专题：厦门大学    第一署名单位    第一作者单位    通讯作者单位     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 Binding interaction and raman spectra of p-π conjugated molecules containing CH2/NH2 groups adsorbed on silver surfaces: A DFT study of wagging modes 期刊论文 http://dx.doi.org/10.1021/jp4042777, 2013 Tao, Sha; Yu, Li-Juan; Pang, Ran; Huang, Yi-Fan; Wu, De-Yin; Tian, Zhong-Qun; 吴德印; 田中群 收藏  |  浏览/下载：2/0  |  提交时间：2015/07/22 Binding energy  Electronic structure  Frequency shift keying  Molecular orbitals  Molecules  Polarization  Tensors   All-thiol-stabilized Ag44 and Au12Ag32 nanoparticles with single-crystal structures 期刊论文 2013 Huayan Yang; 杨华艳; Yu Wang; 王羽; Huaqi Huang; 黄华奇; Lars Gell; Lauri Lehtovaara; Sami Malola; Hannu Häkkinen; Nanfeng Zheng; 郑南峰 收藏  |  浏览/下载：4/0  |  提交时间：2013/09/18 Chemical sciences  Inorganic chemistry  Nanotechnology   All-thiol-stabilized Ag-44 and Au12Ag32 nanoparticles with single-crystal structures 期刊论文 2013 Huayan Yang; 杨华燕; Yu Wang; Huaqi Huang; 黄华奇; Lars Gell ( Department of Chemistry, Nanoscience Center,University of Jyva¨skyla); Lauri Lehtovaara ( Department of Chemistry, Nanoscience Center,University of Jyva¨skyla); Sami Malola ( Department of Physics, Nanoscience Center, University of Jyva¨skyla); Hannu Ha¨kkinen ( Department of Chemistry, Nanoscience Center,University of Jyva¨skyla); Nanfeng Zheng; 郑南峰 收藏  |  浏览/下载：6/0  |  提交时间：2013/11/08 PROTECTED GOLD NANOPARTICLE  SILVER NANOPARTICLES  QUANTUM CLUSTER  NANOCLUSTERS  DENSITY  BIOLOGY   Probing the electronic properties of W3Ox -/0 (x = 0-2) and W32- clusters: The aromaticity of W3 and W32- 期刊论文 http://dx.doi.org/10.1021/jp400673s, 2013 Lin, Shu-Juan; Zhang, Xian-Hui; Xu, Lei; Wang, B; Zhang, Yong-; Huang,; 张先徽 收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22 Aromatization  Chemical bonds  Density functional theory  Molecular orbitals  Negative ions  Oxygen   Reprint of "investigation of layered LiNi1/3Co 1/3Mn1/3O2 cathode of lithium ion battery by electrochemical impedance spectroscopy" 期刊论文 http://dx.doi.org/10.1016/j.jelechem.2013.02.009, 2013 Qiu, Xiang-Yu; Zhuang, Quan-Chao; Zhang, Qian-Qian; Cao, Ru; Qiang, Ying-Huai; Ying, Peng-Zhan; Sun, Shi-Gang; 孙世刚 收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22 Activation energy  Cathodes  Charge transfer  Electric conductivity  Electrochemical impedance spectroscopy  Electronic properties  Ethylene  Kinetic parameters  Lithium alloys  Lithium batteries   ABSORPTION SPECTRA OF NUCLEIC ACID BASES IN WATER ENVIRONMENT: INSIGHTS INTO FROM COMBINED QM/MM AND CLUSTER-CONTINUUM MODEL CALCULATIONS 期刊论文 http://dx.doi.org/10.1142/S0219633613410137, 2013 Zhao, Yuan; Cao, Zexing; 曹泽星 收藏  |  浏览/下载：6/0  |  提交时间：2015/07/22 RESOLVED PHOTOELECTRON-SPECTROSCOPY  DENSITY-FUNCTIONAL THEORY  ELECTRONIC RELAXATION DYNAMICS  MAGNETIC CIRCULAR-DICHROISM  EXCITED-STATE DYNAMICS  AB-INITIO CALCULATIONS  GAS-PHASE  AQUEOUS-SOLUTION  MOLECULAR-DYNAMICS  DNA BASES   Stabilizing subnanometer Ag(0) nanoclusters by thiolate and diphosphine ligands and their crystal structures 期刊论文 http://dx.doi.org/10.1039/c3nr34328f, 2013 Yang, Huayan; Wang, Yu; Zheng, Nanfeng; 郑南峰 收藏  |  浏览/下载：2/0  |  提交时间：2015/07/22 CLUSTER COMPOUNDS  PROTECTED AU-38  GOLD CLUSTERS  SILVER NANOPARTICLES  ELECTRONIC-STRUCTURE  QUANTUM CLUSTER  CORE  COMPLEXES  CAGES   New insight into the electronic shell of Au-38(SR)(24): a superatomic molecule 期刊论文 http://dx.doi.org/10.1039/c2nr32888g, 2013 Cheng, Longjiu; Ren, Changda; Zhang, Xiuzhen; Yang, Jinlong; 任长达 收藏  |  浏览/下载：2/0  |  提交时间：2015/07/22 THIOLATE-PROTECTED AU-38  OPTICAL-ABSORPTION SPECTRA  GOLD NANOCLUSTERS  STRUCTURAL EVOLUTION  CRYSTAL-STRUCTURE  METAL-CLUSTERS  NANOPARTICLES  COMPLEXES  AU-25  CORE   Theoretical Insights into Intermolecular Hydrogen-Bonding Strengthening in Fluorenone-Methanol Complexes Induced by Electronic Excitation and Bulk Solvent Effect 期刊论文 http://dx.doi.org/10.1063/1674-0068/26/06/617-626, 2013 Sun, Chao; Liu, Jie; Liang, Wan-zhen; Zhao, Yi; 刘婕; 梁万珍; 赵仪 收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22 DENSITY-FUNCTIONAL THEORY  INTRAMOLECULAR CHARGE-TRANSFER  TAMM-DANCOFF APPROXIMATION  EXCITED-STATE PROPERTIES  INFRARED-SPECTRA  DYNAMICS  MODEL  ENERGIES  4-DIMETHYLAMINOBENZONITRILE  FLUORESCENCE   Mirror Symmetry Breaking and Absolute Configuration Correlations of Fe(III) Complexes with Achiral Substituted o-Iminobenzosemiquinonato Ligands 期刊论文 http://dx.doi.org/10.3866/PKU.WHXB201304122, 2013 Zhao Lei; Wan Shi-Gang; Chen Cheng-Dong; Lin Yi-Ji; Fang Xue-Ming; Zhang Hui; 章慧 收藏  |  浏览/下载：2/0  |  提交时间：2015/07/22 TRANSITION-METAL-COMPLEXES  STATE CIRCULAR-DICHROISM  CD SPECTRA  COORDINATION-COMPOUNDS  ELECTRONIC-STRUCTURE  RADICAL LIGANDS  NITROXIDE  OXIDATION  DERIVATIVES  IONS