Analysis of molecular polarizabilities and polarizability derivatives in H2, N2, F2, CO, and HF, with the theory of atoms in molecules

Canadian Journal of Chemistry

Volumn 74, Issue 6, 1996, Pages 1139-1144

  Gough, Kathleen M ^a   Yacowar, Margaret M ^a,b   Cleve, Richard H ^a,c   Dwyer, Jason R ^a,b  

^a UNIVERSITY OF MANITOBA   (Canada)

^b BROCK UNIVERSITY   (Canada)

^c UNIVERSITY OF GUELPH   (Canada)

Author keywords

Ab initio molecular orbital calculations; Diatomic molecules; Molecular polarizability; Molecular polarizability derivative; Theory of atoms in molecules

Indexed keywords

ATOMS; CALCULATIONS; CARBON MONOXIDE; CHARGE TRANSFER; CHEMICAL BONDS; FLUORINE; HYDROGEN; NITROGEN;

AB INITIO MOLECULES ORBITAL CALCULATIONS; ATOMIC DIPOLE; ATOMS IN MOLECULES; DIATOMICS; MOLECULAR POLARIZABILITIES; POLARIZABILITY DERIVATIVES; WAVE FUNCTIONS;

MOLECULAR DYNAMICS;

EID: 0030173783     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/v96-128     Document Type: Article

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