The solvation thermodynamics of rose acetate in four mixed solvents: Molecular dynamics simulation, molecular conformation analysis, machine learning and solubility prediction

Autor: Wei, Ning, Li, Wendian, Wu, Lei, Zhang, Xuejian, Huang, Guiyuan, Jian, Meiling, Wang, Hongli, Tao, Feiyan
Zdroj: In Journal of Molecular Liquids 1 September 2024 409
Databáze: ScienceDirect