𝔖 Bobbio Scriptorium
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Theoretical study of internal rotation in perfluorobutadiene

✍ Scribed by T. Choudhury; Steve Scheiner


Book ID
119116090
Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
451 KB
Volume
109
Category
Article
ISSN
0166-1280

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Theoretical model of internal rotation i
✍ Rachel Crespo-Otero; Luis A. Montero; Giselle Rosquete; J. Alexander PadrΓ³n-Garc πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 219 KB

## Abstract The present work explores the effect of substitution in all free positions of furfural on conformational preferences of formyl group by using ab‐initio calculations at the MP2/6‐31G(__p,d__) level of theory. Theoretical modeling was made in vacuo. The selected substituents were ο£ΏCH~3~,