DFT calculations of molecular magnetic properties of coordination compounds

Coordination Chemistry Reviews

Volumn 238-239, Issue , 2003, Pages 187-209

  Ciofini, Ilaria ^a   Daul, Claude A ^a  

^a UNIVERSITY OF FRIBOURG   (Switzerland)

Author keywords

Coordination compounds; DFT calculations; Molecular magnetic properties

Indexed keywords

CHLORINE DERIVATIVE; COORDINATION COMPOUND; COPPER DERIVATIVE; RADICAL; TIN DERIVATIVE; TITANIUM DERIVATIVE;

ANALYTIC METHOD; BROKEN SYMMETRY APPROACH; CALCULATION; CONCEPT FORMATION; DENSITY FUNCTIONAL THEORY; HARTREE FOCK CONCEPT; INTERMETHOD COMPARISON; MAGNETISM; MATHEMATICAL COMPUTING; METAL BINDING; METHYLATION; MOLECULAR DYNAMICS; PHYSICAL MODEL; QUANTITATIVE DIAGNOSIS; QUANTUM THEORY; REVIEW; SINGLE DETERMINANT METHOD; SPIN PROJECTION METHOD; SUPRAMOLECULAR CHEMISTRY;

EID: 0037656306     PISSN: 00108545     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0010-8545(02)00330-2     Document Type: Review

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