On simple, accurate calculations of atomic charges, bond properties and molecular energies

Journal of Molecular Structure: THEOCHEM

Volumn 618, Issue 1-2, 2002, Pages 133-146

  Fliszar S ^a   Chretien S ^a  

^a UNIVERSITÉ DE MONTRÉAL   (Canada)

Author keywords

Atomic charges; Bond energies; Nuclear magnetic resonance

Indexed keywords

AMINE; HYDROCARBON;

ACCURACY; ARTICLE; ATOM; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL BOND; ENERGY; MOLECULE; THEORY;

EID: 0037112228     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00494-3     Document Type: Article

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