Dispersion-corrected DFT calculations and umbrella sampling simulations to investigate stability of Chrysin-cyclodextrin inclusion complexes

Title
Dispersion-corrected DFT calculations and umbrella sampling simulations to investigate stability of Chrysin-cyclodextrin inclusion complexes
Authors
Keywords
-
Journal
Carbohydrate Polymers
Volume 319, Issue -, Pages 121162
Publisher
Elsevier BV
Online
2023-07-02
DOI
10.1016/j.carbpol.2023.121162

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