Optimal selection of partial charge calculation method for rapid estimation of enthalpies of formation from Hartree-Fock total energy

Title

Author

Language

English

Source (journal)

The journal of physical chemistry : A : molecules, spectroscopy, kinetics, environment and general theory. - Washington, D.C., 1997, currens

Publication

Washington, D.C. : 2002

ISSN

1089-5639 [print]

1520-5215 [online]

DOI

10.1021/JP026913S

Volume/pages

106 (2002) , p. 12139-12150

ISI

000179921000020

Full text (Publisher's DOI)

Faculty/Department				Faculty of Sciences. Chemistry

Publication type				A1 Journal article

Affiliation				Publications with a UAntwerp address

Web of Science

Identifier

Creation

08.10.2008

Last edited

04.03.2024

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