Theoretical Prediction of Spin-Crossover at the Molecular Level

Spin-Crossover Materials: Properties and Applications

Volumn , Issue , 2013, Pages 443-454

  Deeth, Robert J ^a   Handley, Christopher M ^a   Houghton, Benjamin J ^a  

^a UNIVERSITY OF WARWICK   (United Kingdom)

Author keywords

Coordination complexes; Crystal field theory (CFT); Density functional theory (DFT); Ligand field molecular mechanics (LFMM); Quantum chemistry; Quantum mechanics; Semi empirical MO theory; Spin crossover (SCO); Valence bond (VB)

Indexed keywords

EID: 84886516955     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9781118519301.ch17     Document Type: Chapter

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