Communications

Peculiarities of molecular interactions in the L-menthol–thymol system

A. V. Petrov, G. Kh. Misikov, A. M. Toikka

Institute of Chemistry, St. Petersburg State University, 199034 St. Petersburg, Russian Federation

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.

Keywords: L-menthol, thymol, molecular dynamics, intermolecular interactions, deep eutectic solvents.

Received: 20.06.2025
Accepted: 04.08.2025

Language: English

DOI: 10.71267/mencom.7853

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