Methylation_b-CD_DFT_Supplementary_Dataset.zip

https://doi.org/10.6084/m9.figshare.22010837

dataset

posted on 2023-02-04, 19:40 authored by Niklas GeueNiklas Geue, Jackson J. Alcázar, Paola R. Campodónico

<p>Supplementary dataset in support of the manuscript "Influence of beta-Cyclodextrin Methylation on Host-Guest Complex Stability: A Theoretical Study of Intra- and Intermolecular Interactions as well as Host Dimer Formation".</p>

Funding

FONDEQUIP EQM150093

History

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Keywords

host-guest complex non-covalent interactions density functional theory β-cyclodextrin methylated cyclodextrins dimethyl-β-cyclodextrin

Licence

CC BY 4.0