A DFT based ligand field study of the EPR spectra of Co(II) and Cu(II) porphyrins

Chemical Physics Letters

Volumn 427, Issue 4-6, 2006, Pages 449-454

  Atanasov, Mihail ^a,c   Daul, Claude A ^a   Rohmer, Marie Madeleine ^b   Venkatachalam, Tamilmani ^a  

^a UNIVERSITY OF FRIBOURG   (Switzerland)

^b UNIVERSITÉ LOUIS PASTEUR   (France)

^c INSTITUTE OF GENERAL AND INORGANIC CHEMISTRY   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

COBALT COMPOUNDS; COPPER COMPOUNDS; CRYSTAL STRUCTURE; GROUND STATE; PROBABILITY DENSITY FUNCTION; TENSORS;

CU-LIGAND COVALENCY; DFT FUNCTIONAL; G-TENSOR VALUES; LIGAND FIELD TREATMENT (LFDFT);

PORPHYRINS;

EID: 33746893837     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.06.107     Document Type: Article

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