Metal-ligand bonding in metallocenes: Differentiation between spin state, electrostatic and covalent bonding

Inorganica Chimica Acta

Volumn 360, Issue 1, 2007, Pages 179-189

  Swart, Marcel ^a,b  

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

^b UNIVERSITY OF GIRONA   (Spain)

Author keywords

Density functional theory; Metal ligand bonding; Metallocenes; Spin state splitting

Indexed keywords

BINARY ALLOYS; CHEMICAL BONDS; ELECTROSTATICS; GROUND STATE; IRON COMPOUNDS; LIGANDS; METAL COMPLEXES; ORBITS; ORGANOMETALLICS; SCANDIUM ALLOYS; SPIN DYNAMICS; TRANSITION METALS; ZINC ALLOYS;

COVALENT BONDING; DECOMPOSITION ANALYSIS; ENERGY DECOMPOSITION ANALYSIS; FIRST ROW TRANSITION METALS; MAXIMUM MULTIPLICITY; METAL-LIGAND BONDING; SPIN GROUND STATE; SPIN STATE;

DENSITY FUNCTIONAL THEORY;

EID: 33751520375     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ica.2006.07.073     Document Type: Article

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