Lado-Touriño, I., Tsobnang, F. (1998) Density functional theory calculations of magnetic coupling in systems containing organic molecules and transition metal atoms: natural magnetic orbital analysis. Computational Materials Science, 11 (3). 181-188 doi:10.1016/s0927-0256(98)80004-9

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Reference Type	Journal (article/letter/editorial)
Title	Density functional theory calculations of magnetic coupling in systems containing organic molecules and transition metal atoms: natural magnetic orbital analysis
Journal	Computational Materials Science
Authors	Lado-Touriño, I.		Author
Authors	Tsobnang, F.		Author
Year	1998 (May)	Volume	11
Issue	3
Publisher	Elsevier BV
DOI	doi:10.1016/s0927-0256(98)80004-9Search in ResearchGate
	Generate Citation Formats
Mindat Ref. ID	9502898	Long-form Identifier	mindat:1:5:9502898:1
GUID	0
Full Reference	Lado-Touriño, I., Tsobnang, F. (1998) Density functional theory calculations of magnetic coupling in systems containing organic molecules and transition metal atoms: natural magnetic orbital analysis. Computational Materials Science, 11 (3). 181-188 doi:10.1016/s0927-0256(98)80004-9
Plain Text	Lado-Touriño, I., Tsobnang, F. (1998) Density functional theory calculations of magnetic coupling in systems containing organic molecules and transition metal atoms: natural magnetic orbital analysis. Computational Materials Science, 11 (3). 181-188 doi:10.1016/s0927-0256(98)80004-9
In	(1998, May) Computational Materials Science Vol. 11 (3) Elsevier BV

	Touriño, I.Lado, Tsobnang, F., Le Méhauté, A. (1998) Magnetic properties of molecular systems: A nonlocal spin density functional study. Computational Materials Science, 10 (1). 292-297 doi:10.1016/s0927-0256(97)00189-4
	*Lado-Touriño, I, Tsobnang, F (2000) Using computational approaches to model hematite surfaces. Computational Materials Science, 17 (2). 243-248 doi:10.1016/s0927-0256(00)00032-x*
	*Lado-Touriño, I., Tsobnang, F. (2005) O interstitial energetics in Ti from ab initio calculations. Computational Materials Science, 32 (1). 13-19 doi:10.1016/j.commatsci.2004.05.005*
	*Molteni, C., Frank, I., Parrinello, M. (2001) Modelling photoreactions in proteins by density functional theory. Computational Materials Science, 20 (3). 311-317 doi:10.1016/s0927-0256(00)00188-9*
	Tsobnang, F., Challioui, C., Wang, A., Lado-Touriño, I., Cottevieille, D., Le Mehauté, A. (1999) Aniline and aminonaphthalenesulfonic acid-based materials: optimization of magnetic properties at ambient temperature. Synthetic Metals, 101 (1). 762-763 doi:10.1016/s0379-6779(98)00653-5
	Lee, Tai-Sung, Lewis, James P., Yang, Weitao (1998) Linear-scaling quantum mechanical calculations of biological molecules: The divide-and-conquer approach. Computational Materials Science, 12 (3). 259-277 doi:10.1016/s0927-0256(98)00029-9
	*(1998) Editorial Board. Computational Materials Science, 10 (1). doi:10.1016/s0927-0256(98)90000-3*
	Zhang, J., Herrmann, K.P. (1998) Application of the laminate plate theory to the analysis of symmetric laminates containing a cracked mid-layer. Computational Materials Science, 13 (1). 195-210 doi:10.1016/s0927-0256(98)00060-3
	Stoeffler, Daniel C.A., Cornea, Clara C. (1998) Improved angular convergence in noncollinear magnetic orders calculations. Computational Materials Science, 10 (1). 217-220 doi:10.1016/s0927-0256(97)00099-2
	*Zhu, Jing (1998) Ab initio pseudopotential calculations of dopant diffusion in Si. Computational Materials Science, 12 (4). 309-318 doi:10.1016/s0927-0256(98)00023-8*
	*Fried, J.R., Weaver, S. (1998) Atomistic simulation of hydrocarbon diffusion in silicalite. Computational Materials Science, 11 (4). 277-293 doi:10.1016/s0927-0256(98)00012-3*

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Lado-Touriño, I., Tsobnang, F. (1998) Density functional theory calculations of magnetic coupling in systems containing organic molecules and transition metal atoms: natural magnetic orbital analysis. Computational Materials Science, 11 (3). 181-188 doi:10.1016/s0927-0256(98)80004-9

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