Aspects of the microscopic structure of curcumin solutions with water-dimethylsulfoxide solvent. Molecular dynamics computer simulation study

We explore some aspects of the microscopic structure of curcumin solutions with water-dimethylsulfoxide solvent of variable composition. Molecular dynamics computer simulations at isobaric-isothermal conditions are used for this purpose. The model consists of the OPLS-UA type model for the enol conf...

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Bibliographic Details
Main Authors: T. Patsahan, O. Pizio
Format: Article
Language:English
Published: Institute for Condensed Matter Physics 2023-07-01
Series:Condensed Matter Physics
Subjects:
Online Access:https://doi.org/10.5488/CMP.26.33605