Title
Optimal selection of partial charge calculation method for rapid estimation of enthalpies of formation from Hartree-Fock total energyOptimal selection of partial charge calculation method for rapid estimation of enthalpies of formation from Hartree-Fock total energy
Author
Faculty/Department
Faculty of Sciences. Chemistry
Research group
Structural chemistry group
Publication type
article
Publication
Washington, D.C.,
Source (journal)
The journal of physical chemistry : A : molecules, spectroscopy, kinetics, environment and general theory. - Washington, D.C., 1997, currens
Volume/pages
106(2002), p. 12139-12150
ISSN
1089-5639
1520-5215
ISI
000179921000020
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
E-info
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