Implicit zero-point vibrational energy and thermal corrections in rapid estimation of enthalpies of formation from Hartree-Fock total energies

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. : 2003

ISSN

1089-5639 [print]

1520-5215 [online]

DOI

10.1021/JP026234H

Volume/pages

107 (2003) , p. 736-744

ISI

000180755700017

Full text (Publisher's DOI)

Faculty/Department				Faculty of Sciences. Chemistry

Research group
Publication type				A1 Journal article

Affiliation				Publications with a UAntwerp address

Web of Science

Identifier

Creation

08.10.2008

Last edited

16.12.2021

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