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Journal of the American Chemical Society

Volumn 123, Issue 16, 2001, Pages 3749-3758

Electronic and magnetic properties of α-Keggin anions: A DFT study of [XM12O40]n-, (M = W, Mo; X = A1III, SiIV, PV, FeIII, CoII, CoIII) and [SiM11VO40]m- (M = Mo and W)

(5) Maestre, J M a Lopez, X a Bo, C a Poblet, J M a Casan Pastor N b

a UNIVERSITAT ROVIRA I VIRGILI (Spain)

b INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA ICMAB CSIC (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

LOW-SPIN STATES;

CARRIER CONCENTRATION; ELECTRONIC PROPERTIES; FERROMAGNETISM; MAGNETIC PROPERTIES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; X RAY ANALYSIS;

NEGATIVE IONS;

ALUMINUM; ANION; COBALT; FERROMAGNETIC MATERIAL; IRON; MOLYBDENUM; OXYGEN 17; PHOSPHORUS; SILICON; TUNGSTEN;

ANION TRANSPORT; ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; ELECTROMAGNETIC FIELD; ENERGY; GEOMETRY; LIGAND BINDING; MOLECULAR STABILITY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OXIDATION REDUCTION REACTION;

EID: 0034822694 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja003563j Document Type: Article

Times cited : (229)

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