## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable v
✦ LIBER ✦
Ab initio and Density Functional Calculations on the Ring-Chain Tautomerism of γ-Oxocarboxylic Acids
✍ Scribed by Walter M. F. Fabian; Keith Bowden
- Publisher
- John Wiley and Sons
- Year
- 2001
- Tongue
- English
- Weight
- 275 KB
- Volume
- 2001
- Category
- Article
- ISSN
- 1434-193X
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The conventional ab initio method at the closed and open restricted Hartree-Fock levels (RHF, ROHF) and the density functional theory approach at the B3-LYP and UB3-LYP levels, using the 6-31G(+ \*) basis set, were applied to predict the molecular structures, the energetic properties (proton affinit