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Vibrational study of some alkylamine hydrochlorides

✍ Scribed by C. Sigüenza; P. Galera; E. Otero-Aenlle; P.F. González-Díaz


Book ID
103907003
Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
173 KB
Volume
37
Category
Article
ISSN
1386-1425

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✍ M. Szafran; J. Koput; Z. Dega-Szafran 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 289 KB

The molecular geometries, harmonic frequencies and intensities of the vibrational bands of a and b polymorphs of 4-hydroxy-1-methylpiperidine betaine hydrochloride (a-HO-MPBHÁCl, b-HO-MPBHÁCl) and their deuterated derivatives have been calculated with the B3LYP/6-31G(d,p) level of theory. The calcul