B3LYP, RHF and PM5 theoretical studies on phosphorescent cyclometalated Ir(III) complexes

Chemical Physics Letters

Volumn 420, Issue 1-3, 2006, Pages 230-234

  Rocha, Gerd B ^a   Freire, Ricardo O ^a   Simas, Alfredo M ^a   De Sá, Gilberto F ^a  

^a FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; PHOSPHORESCENCE; PROBABILITY DENSITY FUNCTION; X RAYS;

CYCLOMETALATED IR(III) COMPLEXES; INTERATOMIC DISTANCES; TIME-DEPENDENT DENSITY FUNCTION THEORY (TD-DFT);

IRIDIUM COMPOUNDS;

EID: 33344459079     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.12.063     Document Type: Article

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