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Experimental and theoretical study of a Diels–Alder reaction between a sugar-derived nitroalkene and cyclopentadiene

✍ Scribed by María I. Mangione; Ariel M. Sarotti; Alejandra G. Suárez; Rolando A. Spanevello


Book ID
108080776
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
627 KB
Volume
346
Category
Article
ISSN
0008-6215

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Density functional study of Diels-Alder
✍ Vicenç Branchadell 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 169 KB 👁 1 views

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