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Studies in hydrogen bonding: Association in methanol using an empirical potential

โœ Scribed by George Brink; Leslie Glasser

Book ID
102306245
Publisher
John Wiley and Sons
Year
1981
Tongue
English
Weight
469 KB
Volume
2
Category
Article
ISSN
0192-8651

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โœฆ Synopsis

Abstract

The empirical potential, EPEN, has been used to establish the structures of isolated hydrogenโ€bonded clusters in methanol. The most stable configuration of the dimer is found to have a trans nearโ€linear form, whereas the most stable forms of the trimer and tetramer are cyclic. Charge interactions in the tetramer make it the most stable, in terms of energy per hydrogen bond, of these three species. These results are in conformity with various types of experiment. Other species of dimer, trimer, and tetramer, corresponding to local energy minima, have also been identified.

๐Ÿ“œ SIMILAR VOLUMES

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## Abstract An empirical potential EPEN has been used to find the stable geometries and approximate hydrogenbond energies of the mixed dimers formed between molecules of water, methanol, ammonia, and methylamine. These results are compared with results in the literature obtained using __ab initio__

Studies in hydrogen bonding: Association
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