Broken symmetry DFT calculations of exchange coupling constants for manganese-porphyrin quasi-one-dimensional molecular magnets

Theoretical Chemistry Accounts

Volumn 131, Issue 7, 2012, Pages 1-13

  Oprea, Corneliu I ^a   Panait, Petre ^a   Cimpoesu, Fanica ^b   Humelnicu, Ionel ^c   Ferbinteanu, Marilena ^d   Gîrţu, Mihai A ^a  

^a OVIDIUS UNIVERSITY   (Romania)

^b Institute for Physical Chemistry   (Romania)

^c ALEXANDRU IOAN CUZA UNIVERSITY OF IASI   (Romania)

^d UNIVERSITY OF BUCHAREST   (Romania)

Author keywords

Density functional calculations; Donor acceptor systems; Exchange interactions; Magnetic properties; Manganese porphyrin

Indexed keywords

EID: 84874610716     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-012-1249-0     Document Type: Article

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