Citation
La. Curtiss et al., On comparison of experimental thermochemical data with G3 theory, J PHYS CH A, 105(1), 2001, pp. 227-228
Citations number
17
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY A
ISSN journal
10895639
→ ACNP
Volume
105
Issue
1
Year of publication
2001
Pages
227 - 228
Database
ISI
SICI code
1089-5639(20010111)105:1<227:OCOETD>2.0.ZU;2-9
Abstract
The results of assessments of methods for computing molecular thermochemica
l data can depend significantly on how comparison with experimental data is
done. This is illustrated for two cases involving G3 theory: the energy of
SiF4 and the G2/97 test set.