3 years ago

Approximate quantum chemical methods for modelling carbohydrate conformation and aromatic interactions: [small beta]-cyclodextrin and its adsorption on a single-layer graphene sheet

Approximate quantum chemical methods for modelling carbohydrate conformation and aromatic interactions: [small beta]-cyclodextrin and its adsorption on a single-layer graphene sheet
Panichakorn Jaiyong, Richard A. Bryce
Adsorption of carbohydrates on graphene has the potential to improve graphene dispersibility in water. Here we assess the ability of DFTB-based and NDDO-based quantum chemical methods to model [small beta]-cyclodextrin conformations and interactions with graphene.

Publisher URL: http://feeds.rsc.org/~r/rss/CP/~3/hQX6K3xTZog/C7CP02160G

DOI: 2017/CP/C7CP02160G

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