José Alejandre
4PUBLICATIONS
6CO-AUTHORS
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Publications (4)
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|Oct 08, 2024
ADCHα-I population analysis and constrained dipole moment density functional theory in force fields for molecular simulations.Javier Carmona-Espíndola, Valeria García-Melgarejo, Edgar Núñez-Rojas
|May 20, 2020
Parametrization with Explicit Water of Solvents Used in Lithium-Ion Batteries: Cyclic Carbonates and Linear Ethers.Valeria García-Melgarejo, José Alejandre, Edgar Núñez-Rojas
|Oct 03, 2018
Force Field Parametrization from the Hirshfeld Molecular Electronic Density.Alexander Pérez de la Luz, Jorge Alberto Aguilar-Pineda, José Guillermo Méndez-Bermúdez
|Jan 11, 2018
Force Field Benchmark of the TraPPE_UA for Polar Liquids: Density, Heat of Vaporization, Dielectric Constant, Surface Tension, Volumetric Expansion Coefficient, and Isothermal Compressibility.Edgar Núñez-Rojas, Jorge Alberto Aguilar-Pineda, Alexander Pérez de la Luz
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