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Studies of crystalline native celluloses using potential energy calculations

✍ Scribed by Alvo Aabloo; Alfred D. French; Raik-Hiio Mikelsaar; Aleksandr J. Pertsin


Publisher
Springer
Year
1994
Tongue
English
Weight
506 KB
Volume
1
Category
Article
ISSN
0969-0239

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πŸ“œ SIMILAR VOLUMES


Preliminary potential energy calculation
✍ Alvo Aabloo; Alfred D. French πŸ“‚ Article πŸ“… 1994 πŸ› John Wiley and Sons 🌐 English βš– 315 KB

## Abstract Packing energy calculations were used to evaluate various models of IΞ± cellulose, based on unit cell dimensions proposed by Sugiyama et al. Both a rigid‐ring method, PLMR, and a full‐optimization molecular mechanics technique, MM3, were used. The model found to be best with both methods