Electronic distribution influence on molecular mechanics results

Journal of Molecular Structure: THEOCHEM

Volumn 458, Issue 1-2, 1998, Pages 27-39

  Gresh, N ^a   Parisel, O ^b   Giessner Prettre, C ^c  

^a Laboratoire de Pharmacochimie   (France)

^b ECOLE NORMALE SUPÉRIEURE   (France)

^c LABORATOIRE DE CHIMIE THÉORIQUE   (France)

Author keywords

Atomic charges; Basis set near linear dependences; Electrostatics; Multipolar expansion

Indexed keywords

ADENINE; CYTOSINE; DNA; GUANINE; NUCLEIC ACID BASE; RADICAL; RNA; THYMINE; ZINC ION;

ARTICLE; CHEMICAL STRUCTURE; COMPLEX FORMATION; ELECTRON; ENERGY; HYDROGEN BOND; MECHANICS; MOLECULAR INTERACTION; POLARIZATION;

EID: 0032506849     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00346-7     Document Type: Article

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