Vibrational molecular force field of model compounds with biological interest VI—harmonic dynamic of methyl α-D-mannoside in the crystalline state

A vibrational molecular force field of m

A vibrational molecular force field of model compounds with biological interest. I. Harmonic dynamics of crystalline urea at 123 K

✍ 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