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International Journal of Quantum Chemistry

Volumn 87, Issue 2, 2002, Pages 89-100

Metallomacrocycle (MacM) complex with cyanide as bridged ligand: Electronic structures of [MacMCN]n

(2) Mendizabal, Fernando a Olea Azar, Claudio a

a UNIVERSITY OF CHILE (Chile)

Author keywords

Density functional calculations; Electronic properties; Metallomacrocycles complexes and polymers

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; COMPLEXATION; CYANIDES; ELECTRIC CONDUCTIVITY OF SOLIDS; ELECTRON ENERGY LEVELS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ONE DIMENSIONAL; PROBABILITY DENSITY FUNCTION; RHODIUM COMPOUNDS;

BRIDGED LIGAND; CONDUCTION BAND; DENSITY FUNCTIONAL THEORY; METALLOMACROCYCLE; ORBITALS; SEMICONDUCTIVITY PROPERTIES; VALENCE BAND;

ORGANOMETALLICS;

EID: 0037085963 PISSN: 00207608 EISSN: None Source Type: Journal
DOI: 10.1002/qua.1116 Document Type: Article

Times cited : (3)

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