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浏览/检索结果: 共18条，第1-10条 帮助 限定条件 发表日期：2016    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 Initial hydration behavior of sodium iodide dimer: photoelectron spectroscopy and ab initio calculations 期刊论文 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016 Li, Ren-Zhong; Hou, Gao-Lei; Liu, Cheng-Wen; Xu, Hong-Guang; Zhao, Xiang; Gao, Yi Qin; Zheng, Wei-Jun 收藏  |  浏览/下载：3/0  |  提交时间：2017/12/03 WATER CLUSTERS  ION-PAIRS  PHOTODISSOCIATION DYNAMICS  DISSOLVING MECHANISM  MOLECULAR-STRUCTURE  SALT-SOLUTIONS  BASIS-SET  NAI  NACL  ASSOCIATION   Theoretical Studies on Structures, Properties and Dominant Debromination Pathways for Selected Polybrominated Diphenyl Ethers 期刊论文 INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2016 Li, Lingyun; Hu, Jiwei; Shi, Xuedan; Ruan, Wenqian; Luo, Jin; Wei, Xionghui 收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03 relativistic effects  debromination  pseudo-potentials  transition state  adiabatic electron affinity  vertical electron affinity  DENSITY-FUNCTIONAL THEORY  REDUCTIVE DECHLORINATION  ELECTRON-AFFINITIES  TRANSITION-STATES  AB-INITIO  NANOPARTICLES  DEGRADATION  REACTIVITY  KINETICS  DIOXINS   A distinct magnetic anisotropy enhancement in mononuclear dysprosium-sulfur complexes by controlling the Dy-ligand bond length 期刊论文 DALTON TRANSACTIONS, 2016 Liu, Shan-Shan; Lang, Ke; Zhang, Yi-Quan; Yang, Qian; Wang, Bing-Wu; Gao, Song 收藏  |  浏览/下载：3/0  |  提交时间：2017/12/03 SINGLE-MOLECULE-MAGNET  ION MAGNET  LANTHANIDE COMPLEXES  ENERGY BARRIER  CHEMISTRY  BLOCKING  BEHAVIOR  SYMMETRY  DESIGN   Chirality recognition in concerted proton transfer process for prismatic water clusters 期刊论文 NANO RESEARCH, 2016 Wang, Bo; Jiang, Wanrun; Gao, Yang; Teo, Boon K.; Wang, Zhigang 收藏  |  浏览/下载：2/0  |  提交时间：2017/12/03 water cluster  chirality  proton transfer  circular dichroism spectrum  density functional theory calculation  METAL-ORGANIC FRAMEWORKS  VIBRATIONAL CIRCULAR-DICHROISM  DENSITY FUNCTIONALS  CYCLIC WATER  AB-INITIO  ELECTRON-DENSITY  BINDING-ENERGIES  HYDROGEN-BONDS  IONIZED WATER  (H2O)(N)   Can Non-Kramers Tm-III Mononuclear Molecules be Single-Molecule Magnets (SMMs)? 期刊论文 CHEMISTRY-A EUROPEAN JOURNAL, 2016 Meng, Yin-Shan; Qiao, Yu-Sen; Zhang, Yi-Quan; Jiang, Shang-Da; Meng, Zhao-Sha; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song 收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03 magnetic anisotropy  single-molecule magnets  organometallics  single-crystal angular resolved magnetometry  ION MAGNETS  URANIUM(III) COMPLEX  ANISOTROPY BARRIER  RELAXATION  SYMMETRY  MAGNETIZATION  BLOCKING  BEHAVIOR  SERIES  LEVEL   Hydration of potassium iodide dimer studied by photoelectron spectroscopy and ab initio calculations 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2016 Li, Ren-Zhong; Zeng, Zhen; Hou, Gao-Lei; Xu, Hong-Guang; Zhao, Xiang; Gao, Yi Qin; Zheng, Wei-Jun 收藏  |  浏览/下载：3/0  |  提交时间：2017/12/03 ALKALI-METAL IONS  X-RAY-DIFFRACTION  HOFMEISTER SERIES  GAS-PHASE  BIOLOGICAL STRUCTURE  RAMAN-SPECTROSCOPY  AQUEOUS POTASSIUM  MP2 ENERGY  WATER  NA   Assembling Dysprosium Dimer Units into a Novel Chain Featuring Slow Magnetic Relaxation via Formate Linker 期刊论文 INORGANIC CHEMISTRY, 2016 Chen, Qi; Ma, Fang; Meng, Yin-Shan; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song 收藏  |  浏览/下载：3/0  |  提交时间：2017/12/03 SINGLE-MOLECULE MAGNETS  ION MAGNET  SMM BEHAVIOR  ANISOTROPY BARRIER  TB-III  COMPLEXES  DINUCLEAR  LIGAND  DYNAMICS  TETRANUCLEAR   (Boratabenzene)(cyclooctatetraenyl) lanthanide complexes: a new type of organometallic single-ion magnet 期刊论文 INORGANIC CHEMISTRY FRONTIERS, 2016 Meng, Yin-Shan; Wang, Chun-Hong; Zhang, Yi-Quan; Leng, Xue-Bing; Wang, Bing-Wu; Chen, Yao-Feng; Gao, Song 收藏  |  浏览/下载：3/0  |  提交时间：2017/12/04 BORATABENZENE COMPLEXES  MOLECULE MAGNETS  BORABENZENE DERIVATIVES  ANISOTROPY BARRIER  METAL-IONS  RELAXATION  LIGAND  SYMMETRY  MAGNETIZATION  TRANSITION   Cycloaddition Reaction of Vinylphenylfurans and Dimethyl Acetylenedicarboxylate to [8+2] Isomers via Tandem [4+2]/Diradical Alkene-Alkene Coupling/[1,3]-H Shift Reactions: Experimental Exploration and DFT Understanding of Reaction Mechanisms 期刊论文 JOURNAL OF ORGANIC CHEMISTRY, 2016 Chen, Kai; Wu, Feng; Ye, Lijuan; Tian, Zi-You; Yu, Zhi-Xiang; Zhu, Shifa 收藏  |  浏览/下载：5/0  |  提交时间：2017/12/04 DIELS-ALDER REACTIONS  CATALYZED 3+2 CYCLOADDITION  BRIDGED 10-MEMBERED RINGS  QUINODIMETHANES O-QDMS  HYDROGEN SHIFT  CHEMICAL-REACTIONS  ORGANIC-SYNTHESIS  AB-INITIO  CYCLOHEPTATRIENE  DERIVATIVES   Weak Ligand-Field Effect from Ancillary Ligands on Enhancing Single-Ion Magnet Performance 期刊论文 CHEMISTRY-A EUROPEAN JOURNAL, 2016 Meng, Yin-Shan; Zhang, Yi-Quan; Wang, Zhe-Ming; Wang, Bing-Wu; Gao, Song 收藏  |  浏览/下载：4/0  |  提交时间：2017/12/04 ab initio calculations  ancillary ligands  magnetic anisotropy  magnetic properties  single-ion magnets  MOLECULE MAGNETS  DILANTHANIDE COMPLEXES  MAGNETOSTRUCTURAL CORRELATIONS  ANISOTROPY BARRIER  RELAXATION  BLOCKING  SYMMETRY  EXCHANGE  DY  REACTIVITY