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浏览/检索结果: 共52条，第1-10条 帮助 限定条件 发表日期：2013    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 均苯四甲酰亚胺桥联的聚酞菁亚铁的氧还原反应(英文) 期刊论文 物理化学学报, 2013 孙晓然; 李光跃; 夏定国; 张立美; 李钒 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/11 聚酞菁  铁  氧还原  反应性  密度泛函理论  Polyphthalocyanine  Fe  Oxygen-reduction  Reactivity  Density functional theory   Collisional effects on the generation of fast electrons in fast ignition scheme 期刊论文 等离子体物理学, 2013 Wang, Wei-wu; Cai, Hong-bo; Jia, Qing; Zhu, Shao-ping 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/13 LASER-SOLID INTERACTIONS  PARTICLE SIMULATIONS  FUSION IGNITION  PLASMA  TRANSPORT  DENSITY  DRIVEN  PULSES  LIGHT   Surface phase composition of nanosized LiFePO4 and their enhanced electrochemical properties 期刊论文 journal of materials chemistry a, 2013 Shang, Huaifang; Chu, Wangsheng; Cheng, Jie; Pan, Fangfang; Cheng, Dongming; Xia, Dingguo; Wang, Wenlou; Wu, Ziyu 收藏  |  浏览/下载：6/0  |  提交时间：2015/11/11 LITHIUM-ION BATTERIES  ABSORPTION FINE-STRUCTURE  ALPHA-FE2O3 SUPERSTRUCTURES  ELECTRODE MATERIALS  CATHODE MATERIALS  HIGH-POWER  PERFORMANCE  NANOCOMPOSITE  SPECTROSCOPY  GLASSES   All-Metal Clusters that Mimic the Chemistry of Halogens 期刊论文 chemphyschem, 2013 Zhao, Tianshan; Li, Yawei; Wang, Qian; Jena, Puru 收藏  |  浏览/下载：4/0  |  提交时间：2015/11/13 aluminum  cluster compounds  electronic structure  gold  superhalogens  ATOMIC NEGATIVE-IONS  BINDING-ENERGIES  ELECTRONIC-STRUCTURE  GOLD CHEMISTRY  ANIONS  AU  PHOTODETACHMENT  HYPERHALOGENS  SUPERHALOGENS  THRESHOLD   Dynamic variation and the fast acceleration of particles in Earth's radiation belt 期刊论文 science china earth sciences, 2013 Zong QiuGang; Yuan ChongJing; Wang YongFu; Su ZhenPeng 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/10 radiation belt  killer electrons  CME magnetic storm  CIR magnetic storm  wave-particle interaction  ULF wave  VLF wave  FREQUENCY GEOMAGNETIC-PULSATIONS  MULTI-SPACECRAFT OBSERVATIONS  RELATIVISTIC ELECTRON FLUX  WHISTLER-MODE CHORUS  INNER MAGNETOSPHERE  RESONANT INTERACTION  MAGNETIC-FIELD  SUDDEN COMMENCEMENTS  GEOSYNCHRONOUS ORBIT  SCATTERING LOSS   Cr incorporation in CuGaS2 chalcopyrite: A new intermediate-band photovoltaic material with wide-spectrum solar absorption 期刊论文 physica status solidi a applications and materials science, 2013 Chen, Ping; Qin, Mingsheng; Chen, Haijie; Yang, Chongying; Wang, Yaoming; Huang, Fuqiang 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/11 chalcopyrites  CuGaS2  first-principles calculations  optical absorption  photocatalysis  photovoltaic materials  TOTAL-ENERGY CALCULATIONS  WAVE BASIS-SET  CELLS  SEMICONDUCTORS  EFFICIENCY   Combining spin-adapted open-shell TD-DFT with spin-orbit coupling 期刊论文 分子物理学, 2013 Li, Zhendong; Suo, Bingbing; Zhang, Yong; Xiao, Yunlong; Liu, Wenjian 收藏  |  浏览/下载：6/0  |  提交时间：2015/11/11 spin-adapted TD-DFT  spin-free X2C  spin-orbit coupling  fine structure  open-shell systems  DENSITY-FUNCTIONAL THEORY  RELATIVISTIC QUANTUM-CHEMISTRY  ORDER REGULAR APPROXIMATION  ANO BASIS-SETS  EXCITATION-ENERGIES  PROGRAM PACKAGE  EXCITED-STATES  WAVE-FUNCTIONS  CLUSTER METHOD  EXCHANGE   Homopyrrole and homofuran as masked 1,5-dipoles in metal-free (5+2) cycloadditions with dienophiles: a DFT study 期刊论文 tetrahedron, 2013 Cai, Pei-Jun; Shi, Fu-Qiang; Wang, Yi; Li, Xin; Yu, Zhi-Xiang 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/11 DIELS-ALDER REACTION  DENSITY-FUNCTIONAL THEORY  NATURAL-PRODUCT SYNTHESIS  7-MEMBERED RINGS  AZOMETHINE YLIDES  TRANSITION-STATE  NITRILE OXIDES  ENE REACTIONS  HARTREE-FOCK  VINYLCYCLOPROPANES   Highly asymmetric phthalocyanine-sensitized solar cells: The effect of coadsorbent and adsorption temperature of phthalocyanine 期刊论文 电化学学报, 2013 Yu, Lijuan; Lin, Li; Zhang, Xiaohu; Li, Renjie; Peng, Tianyou; Li, Xingguo 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/11 Asymmetric zinc phthalocyanine  Conversion efficiency  Dye-sensitized solar cell  Coadsorbent  Dye adsorption temperature  NANOCRYSTALLINE TIO2 FILMS  CONVERSION EFFICIENCY  ORGANIC-DYES  PERFORMANCE  TRANSPORT   Electron-induced reductive debromination of 2,3,4-tribromodiphenyl ether: a computational study 期刊论文 journal of molecular modeling, 2013 Luo, Jin; Hu, Jiwei; Zhuang, Yuan; Wei, Xionghui; Huang, Xianfei 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/11 Anions  Debromination  DFT  2,3,4-Tribromodiphenyl Ether  POLYBROMINATED DIPHENYL ETHERS  BROMINATED FLAME RETARDANTS  NANOSCALE ZEROVALENT IRON  DENSITY-FUNCTIONAL THEORY  DIBENZO-P-DIOXINS  DECABROMODIPHENYL ETHER  DECHLORINATION  PBDES  AFFINITIES  REACTIVITY