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浏览/检索结果: 共11条，第1-10条 帮助 限定条件 发表日期：2015    专题：北京大学    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 Stable Alkali Metal Ion Intercalation Compounds as Optimized Metal Oxide Nanowire Cathodes for Lithium Batteries 期刊论文 nano letters, 2015 Zhao, Yunlong; Han, Chunhua; Yang, Junwei; Su, Jie; Xu, Xiaoming; Li, Shuo; Xu, Lin; Fang, Ruopian; Jiang, Hong; Zou, Xiaodong; Song, Bo; Mai, Liqiang; Zhang, Qingjie 收藏  |  浏览/下载：4/0  |  提交时间：2015/11/15 Alkali metal on intercalation  metal oxide nanowire cathodes  rotation electron diffraction  ab initio calculations  synergistic stabilizing effect  ELECTROCHEMICAL ENERGY-STORAGE  HIGH-PERFORMANCE  HIGH-POWER  ELECTRODES  CYCLABILITY  CHALLENGES  CAPACITY  CARBIDES  DEVICES   Half-Sandwich Complexes of Dy-III: A Janus-Motif with Facile Tunability of Magnetism 期刊论文 INORGANIC CHEMISTRY, 2015 Liu, Shan-Shan; Xu, Ling; Jiang, Shang-Da; Zhang, Yi-Quan; Meng, Yin-Shan; Wang, Zitao; Wang, Bing-Wu; Zhang, Wen-Xiong; Xi, Zhenfeng; Gao, Song 收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03 SINGLE-MOLECULE-MAGNET  MONONUCLEAR LANTHANOID COMPLEXES  SPIN-LATTICE-RELAXATION  ION MAGNET  DYSPROSIUM COMPLEX  GROUND-STATES  ANISOTROPY  BEHAVIOR  SERIES  DY(III)   Influence of Guest Exchange on the Magnetization Dynamics of Dilanthanide Single-Molecule-Magnet Nodes within a Metal-Organic Framework 期刊论文 ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2015 Zhang, Xuejing; Vieru, Veacheslav; Feng, Xiaowen; Liu, Jun-Liang; Zhang, Zhenjie; Na, Bo; Shi, Wei; Wang, Bing-Wu; Powell, Annie K.; Chibotaru, Liviu F.; Gao, Song; Cheng, Peng; Long, Jeffrey R. 收藏  |  浏览/下载：7/0  |  提交时间：2017/12/03 ab initio calculations  host-guest systems  lanthanides  metal-organic frameworks  single-molecule magnets  CONTINUOUS SYMMETRY MEASURES  LANTHANIDE COMPLEXES  COORDINATION POLYMERS  SLOW RELAXATION  ION MAGNET  ANISOTROPY  BLOCKING  HYSTERESIS  BEHAVIOR   Observation of the single-ion magnet behavior of d(8) ions on two-coordinate Co(I)-NHC complexes 期刊论文 CHEMICAL SCIENCE, 2015 Meng, Yin-Shan; Mo, Zhenbo; Wang, Bing-Wu; Zhang, Yi-Quan; Deng, Liang; Gao, Song 收藏  |  浏览/下载：10/0  |  提交时间：2017/12/03 TRANSITION-METAL-COMPLEXES  N-HETEROCYCLIC CARBENES  ELECTRONIC-STRUCTURE  MOLECULE MAGNETS  LOW-COORDINATE  II COMPLEXES  RELAXATION  ANISOTROPY  LIGANDS  GEOMETRY   Role of Planar Conformations in Aggregation Induced Spectral Shifts of Supermolecular Oligofluorenols in Solutions and Films: A Combined Experimental and MD/TD-DFT Study 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY B, 2015 Yuan, Xiangai; Zhang, Wanwan; Xie, Ling-Hai; Ma, Jing; Huang, Wei; Liu, Wenjian 收藏  |  浏览/下载：5/0  |  提交时间：2017/12/03 MOLECULAR-DYNAMICS SIMULATIONS  BETA-PHASE FORMATION  CONJUGATED POLYMER POLY(9,9-DIOCTYLFLUORENE)  LIGHT-EMITTING MATERIALS  AB-INITIO CALCULATIONS  GROUND-STATE ENERGIES  POLYFLUORENE DERIVATIVES  FRAGMENTATION APPROACH  EXCITATION-ENERGIES  ELECTRONIC-STRUCTURES   A Combined IM-MS/DFT Study on [Pd( MPAA)]-Catalyzed Enantioselective C-H Activation: Relay of Chirality through a Rigid Framework 期刊论文 CHEMISTRY-A EUROPEAN JOURNAL, 2015 Cheng, Gui-Juan; Chen, Ping; Sun, Tian-Yu; Zhang, Xinhao; Yu, Jin-Quan; Wu, Yun-Dong 收藏  |  浏览/下载：9/0  |  提交时间：2017/12/03 amino acids  asymmetric catalysis  C-H activation  density functional calculations  enantioselectivity  mass spectrometry  MOBILITY-MASS-SPECTROMETRY  CARBON-HYDROGEN BONDS  CATALYZED INTRAMOLECULAR ARYLATION  PROTON-ABSTRACTION MECHANISM  AB-INITIO PSEUDOPOTENTIALS  MOLECULAR-ORBITAL METHODS  EFFECTIVE CORE POTENTIALS  ALPHA-AMINO-ACIDS  TRANSITION-ELEMENTS  POLARIZATION FUNCTIONS   Field-induced slow magnetic relaxation in a hydrogen-bonding linked Co(II) 1D supramolecular coordination polymer 期刊论文 supramolecular chemistry, 2015 Zhu, Yuan-Yuan; Yin, Ting-Ting; Liu, Chang-Wei; Gao, Chen; Wu, Zong-Quan; Zhang, Yi-Quan; Wang, Bing-Wu; Gao, Song 收藏  |  浏览/下载：7/0  |  提交时间：2015/11/10 single-ion magnet  magnetic relaxation  single-molecular magnet  supramolecular polymer  SINGLE-MOLECULE MAGNETS  ZERO-FIELD  ION MAGNET  ANISOTROPY BARRIER  COBALT(II) COMPLEX  LINEAR IRON(I)  BEHAVIOR  DYNAMICS  LEVEL   Understanding the Microsolvation of Salts in Molecular Clusters 期刊论文 国际量子化学杂志, 2015 Liu, Cheng-Wen; Gao, Yi Qin 收藏  |  浏览/下载：4/0  |  提交时间：2015/11/10 integrated tempering sampling  quantum calculation  alkali-halide ion pairs  salt-water clusters  microsolvation mechanisms  ANION PHOTOELECTRON-SPECTROSCOPY  AB-INITIO CALCULATIONS  TEMPERATURE-DEPENDENCE  AQUEOUS-SOLUTIONS  WATER CLUSTERS  SIMULATIONS  STABILITY  DYNAMICS  CHLORIDE   Photoelectron spectroscopy and ab initio calculations of Li(H?O)n(-) and Cs(H?O)n(-) (n = 1-6) clusters 期刊论文 2015 Zeng Zhen; Liu Cheng-Wen; Hou Gao-Lei; Feng Gang; Xu Hong-Guang; Gao Yi Qin; Zheng Wei-Jun 收藏  |  浏览/下载：1/0  |  提交时间：2015/11/11 Enhanced Ferromagnetism in a Mn3C12N12H12 Sheet 期刊论文 chemphyschem, 2015 Liu, Junyi; Sun, Qiang 收藏  |  浏览/下载：2/0  |  提交时间：2015/11/13 density functional calculations  magnetic properties  manganese  nanostructures  transition metals  HALF-METALLICITY  MAGNETIC SEMICONDUCTORS  AB-INITIO  MONOLAYER  GRAPHENE  NANOSHEET