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金属研究所 [14]

北京大学 [1]

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期刊论文 [15]

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	First principles study on the electronic structure of the two chain compounds of M(N-3)(2) (HCOO) (CH3)(2)NH2 (M = Fe and Co) 期刊论文 Solid State Communications, 2008, 卷号: 145, 期号: 1-2, 页码: 43-47 J. Zhang; K. L. Yao; Z. L. Liu; G. Y. Gao; X. C. Wang; Y. L. Li 收藏 \| 浏览/下载：14/0 \| 提交时间：2012/04/13 organic magnet magnetic semiconductors first principles electronic structure coupled organic ferromagnets crystal-structure magnetic-properties complexes azido model
	Ab initio studies on the stability, magnetic property and electronic structure of the molecule-based magnet: Mn-2(dpp)(2)(H2O)(2)Cl-4 center dot 2H(2)O, dpp=2,3-bis(2-paridyl) pyrazine 期刊论文 Solid State Communications, 2008, 卷号: 145, 期号: 7-8, 页码: 364-367 S. W. Fan; K. L. Yao; Z. L. Liu; Z. W. Wang 收藏 \| 浏览/下载：24/0 \| 提交时间：2012/04/13 organic magnetic semiconductors ab initio method electronic structure ferromagnetic properties copper(ii) binuclear compounds transition-metal-complexes density-functional theory iron-sulfur clusters organic ferromagnets theoretical-model systems
	Specific Heat and Charge Density of Quasi-One-Dimensional Interchain Coupling Organic Ferromagnets 期刊论文 Communications in Theoretical Physics, 2008, 卷号: 50, 期号: 6, 页码: 1435-1438 Z. L. Wang; K. L. Yao 收藏 \| 浏览/下载：12/0 \| 提交时间：2012/04/13 specific heat charge density organic ferromagnets polymer ferromagnets free-radicals state model
	The electronic structure and the ferromagnetic intermolecular interactions in the crystal of a diphenyl nitroxide derivative 期刊论文 Philosophical Magazine, 2007, 卷号: 87, 期号: 27, 页码: 4119-4129 L. Zhu; K. L. Yao; Z. L. Liu 收藏 \| 浏览/下载：14/0 \| 提交时间：2012/04/13 organic ferromagnets free-radicals transition magnets model
	First principles study on the electronic structure of the organic conductors (EDT-TSF)(2)MCl4 (M-Ga and Fe) 期刊论文 Physica B-Condensed Matter, 2007, 卷号: 398, 期号: 1, 页码: 40-45 K. L. Yao; J. Zhang; Z. L. Liu; G. Y. Gao; X. C. Wang; Y. L. Li 收藏 \| 浏览/下载：8/0 \| 提交时间：2012/04/13 first principles electronic structure organic magnet FP-LAPW method ferromagnets
	First-principle study on the electronic structure and ferromagnetic properties of a three-dimensional coordination polymer: Cu(HCO2)(2)L (L=4,4 '-bipyridine) 期刊论文 Physica B-Condensed Matter, 2007, 卷号: 395, 期号: 1-2, 页码: 84-87 K. L. Yao; S. W. Fan; Z. L. Liu; Y. L. Li 收藏 \| 浏览/下载：12/0 \| 提交时间：2012/04/13 density-function theory electronic structure ferromagnetic properties organic ferromagnets magnetic-properties molecular magnets temperature surfaces chains model
	The electronic structure and the ferromagnetic intermolecular interactions in the crystal of TEMPO radicals 期刊论文 Journal of Magnetism and Magnetic Materials, 2006, 卷号: 301, 期号: 2, 页码: 301-307 L. Zhu; K. L. Yao; Z. L. Liu 收藏 \| 浏览/下载：14/0 \| 提交时间：2012/04/14 DFT 4-benzylideneamino-2 the organic magnet 2 electronic structure 6 ferromagnetic properties 6-tetramethylpiperidin-1-oxyl coupled organic ferromagnets 1st-principles model
	First-principle calculation on the electronic structure of the molecule-based ferromagnet Co P(CN)(2) (2) and M N(CN)(2) (2) (M = Co, Ni) 期刊论文 Chemical Physics Letters, 2006, 卷号: 424, 期号: 1-3, 页码: 209-213 L. Zhu; K. L. Yao; Z. L. Liu 收藏 \| 浏览/下载：12/0 \| 提交时间：2012/04/14 organic ferromagnets magnetic-materials dicyanamide anion
	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 Y. S. Zhang; Y. L. Yao; Z. L. Liu 收藏 \| 浏览/下载：16/0 \| 提交时间：2012/04/14 [{Cu(L)(N-3)(2)}(n)] ferromagnetic azido group end-to-end organic ferromagnets magnetic-properties crystal-structure on azido antiferromagnetic interactions magnetostructural correlations nickel(ii) complexes dinuclear complex molecular magnets
	Ab initio study of electronic structure and magnetic properties of copper (II) terephthalate 期刊论文 Physica B-Condensed Matter, 2005, 卷号: 370, 期号: 1-4, 页码: 104-109 L. Zhu; K. L. Yao; Z. L. Liu 收藏 \| 浏览/下载：12/0 \| 提交时间：2012/04/14 ab initio FP-LAPW electronic structure ferromagnetic properties organic ferromagnets polymer

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