Evaluation of the accuracy of PM3, AM1 and MNDO/d as applied to zinc compounds

Journal of Molecular Structure: THEOCHEM

Volumn 505, Issue 1-3, 2000, Pages 289-301

  Brauer M ^a   Kunert, M ^b   Dinjus, E ^b   Klussmann M ^c   Doring M ^d   Gorls H ^d   Anders, E ^a  

^a Inst Org Chem Makromolekulare C   (Germany)

^b MAX PLANCK INSTITUTE   (Germany)

^c University of North Carolina at Chapel Hill   (United States)

^d Inst Anorganische Analyt Chem F   (Germany)

Author keywords

Coordination chemistry; Molecular structures; Semiempirical PM3, AM1 and MNDO d MO calculations; Zinc complexes

Indexed keywords

ZINC COMPLEX; ZINC DERIVATIVE;

ARTICLE; CATALYSIS; CHEMICAL STRUCTURE; COMPLEX FORMATION; GERMANY; MOLECULAR INTERACTION;

EID: 0034717869     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00401-7     Document Type: Article

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