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浏览/检索结果: 共53条，第1-10条 帮助 限定条件 专题：北京大学    第一署名单位    第一作者单位    通讯作者单位    发表日期：2012     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择发表日期升序发表日期降序提交时间升序提交时间降序题名升序题名降序作者升序作者降序 Photoelectron spectroscopy and density functional calculations of CuSin- (n=4-18) clusters 期刊论文 journal of chemical physics, 2012 Xu, Hong-Guang; Wu, Miao Miao; Zhang, Zeng-Guang; Yuan, Jinyun; Sun, Qiang; Zheng, Weijun 收藏  |  浏览/下载：2/0  |  提交时间：2015/11/12 DOPED SILICON CLUSTERS  ELECTRONIC-PROPERTIES  N=1-16 CLUSTERS  SELECTIVE FORMATION  METAL IMPURITIES  CAGE CLUSTERS  SI  CU  STABILITIES  GEOMETRIES   Density Functional Theory Study of the Oxygen Reduction Reaction on a Cobalt-Polypyrrole Composite Catalyst 期刊论文 journal of physical chemistry c, 2012 Chen, Xin; Li, Fan; Wang, Xiayan; Sun, Shaorui; Xia, Dingguo 收藏  |  浏览/下载：4/0  |  提交时间：2015/11/12 FUEL-CELL  ADSORPTION  PLATINUM  ENERGY  ELECTRODES  SURFACES  VEHICLES  CATHODE  SITE  H2O2   Strain-Induced Spin Crossover in Phthalocyanine-Based Organometallic Sheets 期刊论文 journal of physical chemistry letters, 2012 Zhou, Jian; Wang, Qian; Sun, Qiang; Kawazoe, Yoshiyuki; Jena, Puru 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/13 Correlation of the atomic and electronic structures and the optical properties of the Sigma 5(210)/[001] symmetric tilt grain boundary in yttrium aluminum garnet 期刊论文 acta materialia, 2012 Jiang, Shengli; Chen, Jun; Lu, Tiecheng; Long, Yao; Sun, Kai 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/12 First principles  YAG grain boundary  Electronic structure  Optical properties  ND-YAG  CERAMIC LASERS  SIGMA 11  ALPHA-AL2O3  SEGREGATION  SIMULATION  IMPURITIES  SURFACE   Electron correlation and spin-orbit coupling effects in US3 and USe3 期刊论文 journal of chemical physics, 2012 Yang, Yu; Yang, Wei; Zhang, Ping 收藏  |  浏览/下载：2/0  |  提交时间：2015/11/13 GENERALIZED GRADIENT APPROXIMATION  URANIUM TRICHALCOGENIDES  MAGNETIC-PROPERTIES  STRUCTURAL STABILITY  PLUTONIUM  OXIDES  SPECTRA  TRANSITION  SELENIDES  RESONANCE   Using carbon chains to mediate magnetic coupling in zigzag graphene nanoribbons 期刊论文 应用物理学快报, 2012 Kan, Min; Zhou, Jian; Li, Yawei; Sun, Qiang 收藏  |  浏览/下载：4/0  |  提交时间：2015/11/12 MOLECULES   Structural transition of large lead monoxide clusters 期刊论文 computational and theoretical chemistry, 2012 Liu, Haitao; Zou, Xiaolong; Wang, Chenchen; Yan, Jun; Duan, Wenhui 收藏  |  浏览/下载：1/0  |  提交时间：2015/11/12 Density functional theory  Lead monoxide clusters  Structure  Stability  METAL-OXIDE CLUSTERS  INFRARED-SPECTRA  BASIS-SETS  PBO  PSEUDOPOTENTIALS  CATALYSTS  NITROGEN  DENSITY  ENERGY  PB4O4   The electronic and optical properties of warm dense nitrous oxide using quantum molecular dynamics simulations 期刊论文 等离子体物理学, 2012 Zhang, Yujuan; Wang, Cong; Zhang, Ping 收藏  |  浏览/下载：2/0  |  提交时间：2015/11/12 AUGMENTED-WAVE METHOD  EQUATION-OF-STATE  LIQUID DEUTERIUM  HYDROGEN  OXYGEN  FLUID  GPA  CONDUCTIVITY  TEMPERATURE  IGNITION   First-principles investigation on high-pressure structural evolution of MnTiO3 期刊论文 固体通讯, 2012 Zhu, Feng; Wu, Xiang; Qin, Shan 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/12 Crystal structure  Phase transitions  High pressure  POST-PEROVSKITE PHASE  LITHIUM-NIOBATE  TRANSITION  MGSIO3  ILMENITE  LINBO3  FETIO3   Ferromagnetic interactions in EO-azido-bridged binuclear transition metal(II) systems: Syntheses, crystal structures and magnetostructural correlations 期刊论文 science china chemistry, 2012 Zhang ShiYuan; Wang BingWu; Xu Na; Shi Wei; Gao Song; Cheng Peng 收藏  |  浏览/下载：5/0  |  提交时间：2015/11/12 crystal structure  binuclear complex  magnetic property  DFT calculation  SINGLE-MOLECULE MAGNET  EXCHANGE COUPLING-CONSTANTS  COORDINATION POLYMERS  COMPLEXES  LIGANDS  STATE  SPIN  PSEUDOHALIDE  CLUSTER  1D