On simple, accurate calculations of atomic charges, bond properties and molecular energies. II. Theoretical background

Journal of Molecular Structure: THEOCHEM

Volumn 668, Issue 2-3, 2004, Pages 101-107

  Fliszar S ^a   Chretien S ^a  

^a UNIVERSITÉ DE MONTRÉAL   (Canada)

Author keywords

Atomic charges; Dipole moments; Energy calculations

Indexed keywords

AB INITIO CALCULATION; ARTICLE; ATOMIC PARTICLE; CORRELATION ANALYSIS; DIPOLE; ELECTRICITY; ENERGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PHYSICAL CHEMISTRY; TECHNIQUE;

EID: 10744227253     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2003.10.029     Document Type: Article

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