| Nombre | VALERIA GARCIA MELGAREJO |
|---|---|
| Área | BIOLOGÍA Y QUÍMICA |
| Campo | QUIMICA |
| Disciplina | QUÍMICA GENERAL |
| Especialidad | QUIMICA TEORICA |
| CVU | 791245 |
| Institución | |
|---|---|
| Dependencia | NO APLICA |
| Entidad | NO APLICA |
| Nivel | C |
| Vigencia | Inicio: 01/01/2026 |
| Fin: 31/12/2029 |
Publicaciones ORCID
- 2024
- ADCHα-I population analysis and constrained dipole moment density functional theory in force fields for molecular simulations The Journal of Chemical Physics
- 2023
- Transferable united atom model for carbohydrates with explicit water: Glucose and sucrose Journal of Molecular Liquids
- 2021
- United atom model via interactions with explicit water (UAMI-EW): Alcohols and ketones Journal of Molecular Liquids
- 2020
- Parametrization with Explicit Water of Solvents Used in Lithium-Ion Batteries: Cyclic Carbonates and Linear Ethers The Journal of Physical Chemistry B
- Constrained dipole moment density functional theory for charge distributions in force fields for the study of molecular fluids The Journal of Chemical Physics
- 2019
- Systematic parameterization procedure to develop force fields for molecular fluids using explicit water Fluid Phase Equilibria
