Intramolecular chelation of Zn2+ by α-and β-mercaptocarboxamides. A parallel ab initio and polarizable molecular mechanics investigation. Assessment of the role of multipole transferability

Journal of Computational Chemistry

Volumn 22, Issue 10, 2001, Pages 1038-1047

  Tiraboschi, Gilles ^a  

^a Laboratoire de Pharmacochimie   (France)

Author keywords

and mercaptocarboxamides; Molecular mechanics; Multipole transferability; Zn2+

Indexed keywords

EID: 0035974487     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.1064     Document Type: Article

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