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A simple hydrogen bond potential function for conformational studies

โœ Scribed by R. Balasubramanian; P. Seetharamulu

Book ID
119069883
Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
463 KB
Volume
5
Category
Article
ISSN
0141-8130

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๐Ÿ“œ SIMILAR VOLUMES

Molecular mechanics study of conformatio
Molecular mechanics study of conformational trends in simple alcohols and ethers. II. Intramolecular hydrogen bonding
โœ Saulo A. Vรกzquez; Miguel A. Rรญos; LuรญS Carballeira ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 729 KB

In this article we present an extension of our modified MMZ(80) force field MMBMOD in which a potential function for hydrogen bonding in alcohols and ethers is included. The results of applying MM2(85), MM2(87), and MMBMOD on ethylene glycol, 2-methoxyethanol and 1,3-propanediol are reported and com