Definition of magneto-structural correlations for the MnII ion

Chemistry - A European Journal

Volumn 14, Issue 21, 2008, Pages 6498-6509

  Duboc, Carole ^a,b   Collomb, Marie Noëlle ^a   Pécaut, Jacques ^c   Deronzier, Alain ^a   Neese, Frank ^d  

^a UNIVERSITÉ JOSEPH FOURIER   (France)

^b GRENOBLE HIGH MAGNETIC FIELD LABORATORY   (France)

^c CEA GRENOBLE   (France)

^d UNIVERSITY OF BONN   (Germany)

Author keywords

Density functional calculations; Magnetic properties; Manganese; Metalloenzymes; Zero field splitting

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE SPECTROSCOPY; ELECTRONIC PROPERTIES; IONS; LIGANDS; MAGNETIC PROPERTIES; MANGANESE; MANGANESE REMOVAL (WATER TREATMENT); PARAMAGNETIC RESONANCE;

COORDINATION NUMBER; COORDINATION SPHERE; EXPERIMENTAL VALUES; MAGNETOSTRUCTURAL CORRELATIONS; METALLOENZYMES; SPIN-ORBIT COUPLINGS; SPIN-SPIN INTERACTION; ZERO-FIELD SPLITTINGS;

MANGANESE COMPOUNDS; DENSITY FUNCTIONAL THEORY;

EID: 53849145308     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200800426     Document Type: Article

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