Portal del Investigador
Using molecular dynamics simulations to predict the effect of temperature on aqueous solubility for aromatic compounds
Keywords: solubility, solvation, polyphenols, thermodynamic integration, solid-liquid extraction, molecular dynamics simulations, Hydration free energy
Más información
| Título según WOS: | Using molecular dynamics simulations to predict the effect of temperature on aqueous solubility for aromatic compounds |
| Título según SCOPUS: | Using molecular dynamics simulations to predict the effect of temperature on aqueous solubility for aromatic compounds |
| Título de la Revista: | FLUID PHASE EQUILIBRIA |
| Volumen: | 472 |
| Editorial: | Elsevier |
| Fecha de publicación: | 2018 |
| Página de inicio: | 85 |
| Página final: | 93 |
| Idioma: | English |
| DOI: |
10.1016/j.fluid.2018.05.013 |
| Notas: | ISI, SCOPUS |