ON THE RELATIVE HEATS OF FORMATION OF C3H7O- AN AB-INITIO MOLECULAR-ORBITAL [G2(MP2) AND CBS-Q] STUDY - COMMENT( IONS )

Authors
ANDERSEN PE HAMMERUM S
Citation
Pe. Andersen et S. Hammerum, ON THE RELATIVE HEATS OF FORMATION OF C3H7O- AN AB-INITIO MOLECULAR-ORBITAL [G2(MP2) AND CBS-Q] STUDY - COMMENT( IONS ), European mass spectrometry, 1(5), 1995, pp. 499-500
Citations number
7
Categorie Soggetti
Spectroscopy,"Physics, Atomic, Molecular & Chemical
Journal title
European mass spectrometry → ACNP
ISSN journal
13561049
Volume
1
Issue
5
Year of publication
1995
Pages
499 - 500
Database
ISI
SICI code
1356-1049(1995)1:5<499:OTRHOF>2.0.ZU;2-U
Abstract
The heats of formation of the four C3H7O+ ions have been calculated us ing the G2(MP2) and CBS-Q theoretical procedures, to resolve a discrep ancy between experimentally determined values.