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

Journal of Molecular Structure: THEOCHEM

Volumn 546, Issue 1-3, 2001, Pages 89-97

  Jalbout, Abraham F ^a   Jalbout, Fouad N ^a   Alkahby, Hadi Y ^a  

^a DILLARD UNIVERSITY   (United States)

Author keywords

Basis set effect; Bond dissociation channels; Density functional theory; HO4Cl; HOClO3

Indexed keywords

CHLORINE DERIVATIVE;

ARTICLE; CHEMICAL BOND; DISSOCIATION; GEOMETRY; ISOMERISM; MOLECULAR DYNAMICS;

EID: 0035898471     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(01)00431-6     Document Type: Article

References (25)