Diels᎐Alder reactions of cyclopentadiene with ethylene, acrylonitrile, and acrolein were theoretically studied using density functional methods. The results obtained were compared with those corresponding to ab initio methods. Density functional methods, using the B-LYP nonlocal functional, or hybri
Density functional theory computational study on Diels–Alder reactions of cyclopentadiene with selected vinylsilanes and methylenecyclopropane
✍ Scribed by Werstiuk, Nick Henry; Sokol, Wojciech
- Book ID
- 125520073
- Publisher
- NRC Research Press
- Year
- 2011
- Tongue
- French
- Weight
- 333 KB
- Volume
- 89
- Category
- Article
- ISSN
- 0008-4042
- DOI
- 10.1139/V10-167
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## Abstract The Diels‐Alder (DA) reactions of vinylallenes (VA) with ethylenes were investigated using the global electrophilicity and nucleophilicity of the corresponding reactants as global reactivity indexes defined within the conceptual density functional theory. The reactivity and regioselecti
## 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