Advanced ab initio and hybrid density functional theory evaluation of the atomization energies, bond dissociation pathways, and heats of formation of the two isomers of HClO4-Reference-Cited by-同舟云学术

Advanced ab initio and hybrid density functional theory evaluation of the atomization energies, bond dissociation pathways, and heats of formation of the two isomers of HClO4

Published:2001-07 Issue:1-3 Volume:546 Page:89-97
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Jalbout Abraham F.,Jalbout Fouad N.,Alkahby Hadi Y.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference25 articles.

1. Ab Initio Characterization of HOClO3 and HO4Cl: Implications for Atmospheric Chemistry

2. High level ab initio and a hybrid density functional theory study of the bond dissociation energies and heats of formation for FOOF and FOOCl

3. Computing heats of formation from CBS-Q total energies and the experimental heats of vaporization of graphite and rhombic sulfur

4. Stratospheric sink for chlorofluoromethanes: chlorine atom-catalysed destruction of ozone

5. In situ observations of ClO in the Arctic stratosphere: ER-2 aircraft results from 59°N TO 80°N latitude

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5. Erratum to “Advanced ab initio and hybrid density functional theory evaluation of the atomization energies, bond dissociation pathways, and heats of formation of the two isomers of HClO4” [J. Mol. Struct. (Theochem) 546 (2001) 89–97];Journal of Molecular Structure: THEOCHEM;2002-10