Monolayer self‐organization of cyclodextrins on carbon surface,Journal of the Chinese Chemical Society

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Monolayer self‐organization of cyclodextrins on carbon surface
Journal of the Chinese Chemical Society ( IF 1.6 ) Pub Date : 2020-04-22 , DOI: 10.1002/jccs.201900544
Egor S. Bykov ₁ , Kirill A. Kopytin ₁ , Lyudmila A. Onuchak ₁ , Vladislav A. Blatov _{2,

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Affiliation

A quantum‐chemical semi‐empirical PM3 and Gaussian 09 method has been used to evaluate the structure of a monolayer of α‐ and β‐cyclodextrins on a carbon surface. The adsorption energies for various types of packing of cyclodextrin molecules in a dense monolayer have been calculated. It has been established that the monolayers with the “sideway” orientation of the cyclodextrin molecules to the carbon surface are most energetically favorable.

中文翻译：