Keywords
deep eutectic solvents.
intermolecular interactions
L-menthol
molecular dynamics
thymol
Abstract
Molecular interactions in the L-menthol-thymol system were simulated using classical molecular dynamics. The results were compared with experimental and theoretical published data regarding this system. It was shown that the molecular dynamics simulation data can be an important additional criterion for understanding the nature of molecular interactions in this system.
Funders
Russian Science Foundation
25-23-00021
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