Conformational and topological analysis of the charge density in guanine-α-dicarbonyl adducts at AM1 level

Journal of Molecular Structure: THEOCHEM

Volumn 504, Issue 1-3, 2000, Pages 59-67

  Fidanza, N G ^a   Valiensi, J P ^a   Peruchena, N M ^a  

^a UNIVERSIDAD NACIONAL DEL NORDESTE   (Argentina)

Author keywords

AM1; Atoms in molecules; Charge density; Critical points; H bonds; Laplacian; Molecular orbital calculations; Mutagenic compounds; Dicarbonyl compounds

Indexed keywords

GUANINE DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CONFORMATION; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MUTAGENICITY;

EID: 0034640741     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(00)00355-9     Document Type: Article

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