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A vibrational molecular force field of model compounds with biological interest. V. Harmonic dynamic of N-acetyl-α-d-glucosamine in the crystalline state

✍ Scribed by I. Kouach-Alix; G. Vergoten


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
862 KB
Volume
323
Category
Article
ISSN
0022-2860

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A vibrational molecular force field of m
✍ Philippe Derreumaux; Gérard Vergoten; Philippe Lagant 📂 Article 📅 1990 🏛 John Wiley and Sons 🌐 English ⚖ 736 KB

## Abstract Normal coordinate calculations have been performed for urea and deuterated urea in the crystalline state. We have used the modified Urey–Bradley–Shimanouchi intramolecular potential energy function and a rather sophisticated intermolecular energy function to reproduce I.R. and Raman fre