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β-Nitrostyrene derivatives—a conformational study by combined Raman spectroscopy and ab initio MO calculations

✍ Scribed by R Calheiros; N Milhazes; F Borges; M.P.M Marques


Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
527 KB
Volume
692
Category
Article
ISSN
0022-2860

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✍ César A. Flores-Sandoval; Carlos M. Cerda-García-Rojas; Pedro Joseph-Nathan 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 166 KB

## Abstract __Ab initio__ calculations of the tricyclic sesquiterpene β‐panasinsene (**1**) provided theoretical H—C—C—H dihedral angles that allowed us to predict the corresponding ^1^H–^1^H vicinal coupling constant values, using a generalized Karplus‐type equation. These values, together with th