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HFF: a force field for liquid crystal molecules

✍ Scribed by Edgardo Garcia; Matthew A. Glaser; Noel A. Clark; David M. Walba


Book ID
114143423
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
225 KB
Volume
464
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES


Upack program package for crystal struct
✍ van Eijck, Bouke P.; Kroon, Jan πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 204 KB πŸ‘ 1 views

The UPACK program package for crystal structure generation was used to build hypothetical crystal structures for 32 pyranoses and 24 polyalcohols. A subset of these was used to compare six force fields in their ability to reproduce the experimentally observed structures, preferably with low energies