Magnetostructural relations from a combined ab initio and ligand field analysis for the nonintuitive zero-field splitting in Mn(III) complexes

Journal of Chemical Physics

Volumn 133, Issue 8, 2010, Pages

  Maurice, Rémi ^a,b   De Graaf, Coen ^b,c   Guih́ry, Nathalie ^a  

^a European Theoretical Spectroscopy Facility   (France)

^b UNIVERSITAT ROVIRA I VIRGILI   (Spain)

^c INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ANGULAR DISTORTIONS; EFFECTIVE HAMILTONIAN; FOURTH-ORDER; LIGAND FIELD ANALYSIS; LIGAND FIELD MODELS; MODEL HAMILTONIANS; ORBITAL MIXING; SECOND ORDERS; SPIN HAMILTONIAN; SPIN-ORBIT COUPLINGS; ZERO-FIELD SPLITTINGS;

ANISOTROPY; HAMILTONIANS; LIGANDS; MANGANESE COMPOUNDS;

MANGANESE;

EID: 77956323142     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3480014     Document Type: Article

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