Edgar Núñez-Rojas

3PUBLICATIONS
6CO-AUTHORS
Forensic evaluation, inference and statisticsCondensed matter modelling and density functional theory
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Publications (3)

|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

|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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Frequent Collaborators

3 joint publications

José Alejandre

1 joint publications

Javier Carmona-Espíndola

1 joint publications

Valeria García-Melgarejo

1 joint publications

Samantha Mendoza