A Theoretical (AM1) and Experimental Dipole Moment Study of 5(4H)-Oxazolones
✍ Scribed by C. Cativiela; M. D. Díaz De Villegas; J. P. Fayet; J. I. García; J. A. Mayoral; M. C. Vertut
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 2010
- Weight
- 268 KB
- Volume
- 101
- Category
- Article
- ISSN
- 0037-9646
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## 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
Spectroscopic and theoretical studies of 3,3,6,6-tetramethyl-1,2,4,5-tetroxane are presented. Molecular dynamics calculations were performed to scan the conformational space of the molecule. Density functional calculations were carried out on the stable conformers to obtain a better description of m