GÖKALP, FaikDEMİR, Temir Ali2025-01-212025-01-2120192587-1722https://doi.org/10.33435/tcandtc.543411https://hdl.handle.net/20.500.12587/23185The natural active compounds in Oregano essential oils are extremely beneficial for human health and when used as a drug for treatment. In this study, we have examined the two main Oregano essential oils Thymol and Carvacrol. These oils have many functions; predominantly, in biochemical reactions in metabolism. In our research, we theoretically investigated the chemical activities of Carvacrol and Thymol by using B3LYP/6-31G(d,p) method in the gas, water, and blood phases. The point at which ethanol was used as a solvent was important to the study outcome; hence, in this study; the researchers determined the effective rate of Carvacrol with ethanol to explain the interaction mechanism. © 2021. All Rights Reserved.eninfo:eu-repo/semantics/openAccessCarvacrol; Density functional theory (DFT); Ethanol; Oregano; ThymolArticle32869110.33435/tcandtc.5434112-s2.0-85103103855Q3