Ab initio studies on the zero-field splitting parameters of manganese porphyrin complexes

Polyhedron

Volumn 26, Issue 9-11, 2007, Pages 2309-2312

  Takeda, Ryo ^a   Koizumi, K ^a   Shoji, M ^a   Nitta, H ^a   Yamanaka, S ^a   Okumura, M ^a   Yamaguchi, K ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

Magnetic anisotropy; Single chain magnets; Spin orbit coupling; Zero field splitting

Indexed keywords

DENSITY FUNCTIONAL THEORY; MANGANESE COMPOUNDS; PORPHYRINS;

AB INITIO STUDY; MAGNETIC CHAINS; MANGANESE PORPHYRINS; ONE-DIMENSIONAL; PORPHYRIN COMPLEXES; SINGLE-CHAIN MAGNET; SPIN-ORBIT COUPLINGS; TETRAKIS; ZERO-FIELD SPLITTING PARAMETERS; ZERO-FIELD SPLITTINGS;

MAGNETIC ANISOTROPY;

EID: 34249690204     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2006.11.026     Document Type: Article

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