Ab initio molecular orbital study of Fe(CO)n(n = 1-3)

Theoretical Chemistry Accounts

Volumn 104, Issue 2, 2000, Pages 140-145

  Honda, Hiroaki ^a   Noro, Takeshi ^a   Miyoshi, Eisaku ^b  

^a HOKKAIDO UNIVERSITY   (Japan)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

Charge density difference map; Complete active space self consistent field method; Mulliken population analysis; Multireference configuration interaction; Nature of bonding for Fe(CO)n(n = 1 3)

Indexed keywords

EID: 0034406224     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140000128     Document Type: Article

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