๐”– Bobbio Scriptorium
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Energetics of the neighbor exclusion model of intercalation

โœ Scribed by Andrezej Sawaryn; Bernd Leps; Hans Bradaczek

Book ID
102306429
Publisher
John Wiley and Sons
Year
1983
Tongue
English
Weight
332 KB
Volume
4
Category
Article
ISSN
0192-8651

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โœฆ Synopsis

The nearest-neighbor exclusion model for intercalation was studied using an energetical approach. It was shown that creation of the intercalation site in the exclusion model corresponds to the same energetical destabilization of the structure as in the standard model of intercalation. The stability of the intercalation complex formed in the case of the exclusion model is lower by 68 kcal/mol as compared with the standard model, but geometrical structures of both complexes are very similar. The electrostatic molecular potential method was also used to further characterize the intercalation site formed within both models of intercalation.

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