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浏览/检索结果: 共9条，第1-9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     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 Density functional theory study of the magnetic properties of rare earth complexes: the magnetic coupling mechanism in Y-III and Gd-III complexes with nitronyl nitroxide 期刊论文 中国科学b辑 化学英文版, 2009 Ren Jie; Wang BingWu; Chen ZhiDa 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/10 magnetic coupling  density functional theory  rare earth ion  gadolinium(III) complexes  yttrium(III) complexes  BROKEN-SYMMETRY APPROACH  SPIN-DENSITY  MU-HYDROXO  DERIVATIVES  RADICALS  BEHAVIOR  LIGANDS  DIMERS   Irreducible tensor operator method study on molecular magnetism: A practical approach and its use for high-nuclearity magnetic cluster 期刊论文 化学物理学快报, 2008 Wang, Fan; Wang, Bingwu; Wang, Mingwei; Chen, Zhida 收藏  |  浏览/下载：2/0  |  提交时间：2015/11/10 ORBITALLY DEGENERATE IONS  EXCHANGE INTERACTION  FRUSTRATION   Theoretical study on potential energy curves and spectroscopy properties of ground and low-lying excited electronic states of BrCl(+) 期刊论文 中国科学b辑 化学英文版, 2008 Wang MingWei; Wang BingWu; Chen ZhiDa 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/10 BrCl(+)  ab initio MRCI(SD) plus Q method  spin-orbit coupling  low-lying excited state  potential energy curves  BROMINE MONOCHLORIDE  OZONE DESTRUCTION  POLAR SUNRISE  PHOTODISSOCIATION  CATION   Theoretical study on photoinduced magnetization process: Possible meta-stable molecular structure for a photomagnetic high-spin molecule [Mo-IV(CN)(2)(CN-CuL)(6)](8+) 其他 2007-01-01 Wang, Bingwu; Wang, Mingwei; Chen, Zhida 收藏  |  浏览/下载：5/0  |  提交时间：2015/11/12 photoinduced magnetization  ferromagnetic coupling  compounds containing Mo-IV and Cu-(II)  DFT  MRCI  PRUSSIAN BLUE ANALOGS  AB-INITIO CALCULATIONS  COBALT-IRON CYANIDE  FERRIMAGNETIC SYSTEMS  ALKALI CATION  C-I  METASTABLE STATE  CHARGE-TRANSFER  TRANSITION  MECHANISM   Magnetic coupling interaction for mixed transition metal dimer: Ab initio MRCI(SD)+Q investigation on CrCu 期刊论文 化学物理学快报, 2007 Wang, Mingwei; Wang, Bingwu; Chen, Zhida 收藏  |  浏览/下载：2/0  |  提交时间：2015/11/12 ELECTRON-SPIN-RESONANCE  BASIS-SETS  CUH  MOLECULES  ATOMS   Unusual ferromagnetic coupling interaction in carboxylato-bridged Mn(II) complexes: Ab initio MRCI(SD) and DFT theoretical studies 期刊论文 journal of molecular structure theochem, 2007 Wang, Mingwel; Wang, Bingwu; Chen, Zhida 收藏  |  浏览/下载：1/0  |  提交时间：2015/11/12 Magnetic coupling  Mn(II)-containing dimer  Ab initio MRCI(SD) plus Q  DFT broken-symmetry  low-lying excited state  DENSITY-FUNCTIONAL THEORY  BROKEN SYMMETRY APPROACH  MAGNETIC-PROPERTIES  BINUCLEAR COMPLEXES  MANGANESE CARBOXYLATE  METAL DIMER  EXCHANGE  MOLECULE  FAMILY  INSULATORS   Theoretical study on ground and low-lying excited electronic states of BrCl: Ab initio MRCI(SD)+Q calculations 期刊论文 journal of molecular structure theochem, 2007 Wang, Mingwei; Wang, Bingwu; Chen, Zhida 收藏  |  浏览/下载：4/0  |  提交时间：2015/11/12 ab initio MRCI  low-lying excited state  potential energy curves  spin-orbit coupling  BrCl  SPONTANEOUS PREDISSOCIATION  INTERHALOGENS  I2  FLUORESCENCE  TRANSITIONS  RESOLUTION  DYNAMICS  ION   Geometric spin frustration for isolated plaquettes of the lattices: An extended irreducible tensor operator method 期刊论文 化学物理学杂志, 2006 Wang, Fan; Chen, Zhida 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/12 spin frustration  irreducible tensor operator method  good quantum number  molecular magnetism  energy spectrum  HEISENBERG KAGOME ANTIFERROMAGNET  DISORDER  ORDER   Synthesis, structure and magnetic property study on the mixed valence dodenuclear manganese clusters 期刊论文 北京大学学报 自然科学版, 2000 An, Jin; Chen, Zhida; Bian, Jiang; Gao, Song; Wang, Shixi; Xu, Guangxian; Chen, Jiutong 收藏  |  浏览/下载：6/0  |  提交时间：2015/11/17