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浏览/检索结果: 共14条，第1-10条 帮助 限定条件 专题：金属研究所    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 Two chain complexes of [(CH3)(2)NH2] [M(N-3)(2)( HCOO)] (M=Fe and Co) studied by first-principle electronic-structure calculation 期刊论文 JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2008, 卷号: 320, 期号: 3-4, 页码: 222-226 作者:  Yao, K. L.;  Li, Z. B.;  Liu, Z. L. 收藏  |  浏览/下载：0/0  |  提交时间：2021/02/02 DFT  electronic structure  ferromagnetic properties   Two chain complexes of [(CH3)(2)NH2] [M(N-3)(2)( HCOO)] (M=Fe and Co) studied by first-principle electronic-structure calculation 期刊论文 JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2008, 卷号: 320, 期号: 3-4, 页码: 222-226 作者:  Yao, K. L.;  Li, Z. B.;  Liu, Z. L. 收藏  |  浏览/下载：0/0  |  提交时间：2021/02/02 DFT  electronic structure  ferromagnetic properties   Two chain complexes of (CH3)(2)NH2 M(N-3)(2)( HCOO) (M=Fe and Co) studied by first-principle electronic-structure calculation 期刊论文 Journal of Magnetism and Magnetic Materials, 2008, 卷号: 320, 期号: 3-4, 页码: 222-226 K. L. Yao; Z. B. Li; Z. L. Liu 收藏  |  浏览/下载：15/0  |  提交时间：2012/04/13 DFT  electronic structure  ferromagnetic properties  ferromagnetic interaction  weak ferromagnetism  magnetic-properties  azido  copper(ii)  compound  behavior  ligand   Spin distribution and electronic structure of the ferromagnetic half-metal [Mn(bipy)(N-3)(2)]: Ab initio study 期刊论文 PHYSICA B-CONDENSED MATTER, 2007, 卷号: 395, 期号: 1-2, 页码: 28-32 作者:  Li, Y. L.;  Yao, K. L.;  Liu, Z. L. 收藏  |  浏览/下载：1/0  |  提交时间：2021/02/02 density functional theory  density of states  magnetic properties   Spin distribution and electronic structure of the ferromagnetic half-metal Mn(bipy)(N-3)(2) : Ab initio study 期刊论文 Physica B-Condensed Matter, 2007, 卷号: 395, 期号: 1-2, 页码: 28-32 Y. L. Li; K. L. Yao; Z. L. Liu 收藏  |  浏览/下载：6/0  |  提交时间：2012/04/13 density functional theory  density of states  magnetic properties  end-on azido  magnetic-properties  crystal-structure  complexes  compound  systems  bridge  copper  chain  state   First-principles studies on the conductive and ferromagnetic properties of Mn(ins)( mu(1,1)-N-3(CH3OH) (2) 期刊论文 Physica B-Condensed Matter, 2007, 卷号: 392, 期号: 1-2, 页码: 318-322 K. L. Yao; N. Liu; Z. L. Liu; Y. L. Li; G. Y. Gao 收藏  |  浏览/下载：13/0  |  提交时间：2012/04/13 first principles  azido group  ferromagnetic  electronic structure  copper (ii)-azido compound  end-on azido  magnetic-properties  magnetostructural correlations  structural-characterization  nickel(ii)  complexes  electronic-structure  crystal-structures  bridging ligand  systems   The magnetic behavior and electronic structure of manganese (II)-azido complex Mn(L)(2)(N3)(2) (n) studied by first-principle calculation 期刊论文 Physics Letters A, 2006, 卷号: 359, 期号: 3, 页码: 227-233 K. L. Yao; Y. S. Zhang; Z. L. Liu; L. H. Yu; X. L. Wang 收藏  |  浏览/下载：23/0  |  提交时间：2012/04/14 [Mn(L)(2)(N3)(n)]  azido group  end-on azido  copper(ii) dinuclear complex  crystal-structure  antiferromagnetic interactions  magnetostructural correlations  ferromagnetic interaction  nickel(ii) complexes  compound  ligand  perchlorate   The ferromagnetic copper (II)-azido compound [Cu(L)(2)(N-3)(2)](n) [L=4-(dimethylamino)pyridine] studied by first-principle calculation 期刊论文 PHYSICA B-CONDENSED MATTER, 2005, 卷号: 358, 期号: 1-4, 页码: 216-223 作者:  Zhang, YS;  Yao, KL;  Liu, ZL 收藏  |  浏览/下载：0/0  |  提交时间：2021/02/02 [Cu(L)(2)(N-3)(2)](n)  azido group  spin delocalization   First principle calculation on the electronic structure of the copper (II)-azido compound [{Cu(L)(N-3)(2)}(n)] (L = benzylamine) 期刊论文 JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2005, 卷号: 288, 页码: 331-338 作者:  Zhang, YS;  Yao, YL;  Liu, ZL 收藏  |  浏览/下载：0/0  |  提交时间：2021/02/02 [{Cu(L)(N-3)(2)}(n)]  ferromagnetic  azido group   Strong ferromagnetic coupling of {[Cu(Hpht)(N-3)]center dot H2O}(n) with simultaneous end-on azido and carboxylato bridges: A first principle study 期刊论文 COMMUNICATIONS IN THEORETICAL PHYSICS, 2005, 卷号: 43, 期号: 2, 页码: 349-352 作者:  Yao, KL;  Zu, FX;  Liu, ZL;  Zou, WD 收藏  |  浏览/下载：1/0  |  提交时间：2021/02/02 ferromagnetic coupling  spin polarization  superexchange interaction