Search Results - García-Melgarejo, Valeria

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  1. 1
    Constrained dipole moment density functional theory for charge distributions in force fields for the study of molecular fluids

    Constrained dipole moment density functional theory for charge distributions in force fields for the study of molecular fluids by Carmona-Espíndola, Javier, Núñez-Rojas, Edgar, García-Melgarejo, Valeria, Gázquez, José L., Alejandre, José

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  2. 2
    Parametrization with Explicit Water of Solvents Used in Lithium Ion Batteries: Cyclic Carbonates and Linear Ethers

    Parametrization with Explicit Water of Solvents Used in Lithium Ion Batteries: Cyclic Carbonates and Linear Ethers by García-Melgarejo, Valeria, Alejandre, José, Núñez-Rojas, Edgar

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  3. 3
    ADCHα-I population analysis and constrained dipole moment density functional theory in force fields for molecular simulations

    ADCHα-I population analysis and constrained dipole moment density functional theory in force fields for molecular simulations by Carmona-Espíndola, Javier, García-Melgarejo, Valeria, Núñez-Rojas, Edgar, Mendoza, Samantha, García, Abraham, Gázquez, José L., Alejandre, José

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  4. 4
    United atom model via interactions with explicit water (UAMI-EW): Alcohols and ketones

    United atom model via interactions with explicit water (UAMI-EW): Alcohols and ketones by García-Melgarejo, Valeria, Núñez-Rojas, Edgar, Alejandre, José

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  5. 5
    Transferable united atom model for carbohydrates with explicit water: Glucose and sucrose

    Transferable united atom model for carbohydrates with explicit water: Glucose and sucrose by Prado-Arroyo, José Luis, García-Melgarejo, Valeria, Alejandre, José

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  6. 6
    Systematic parameterization procedure to develop force fields for molecular fluids using explicit water

    Systematic parameterization procedure to develop force fields for molecular fluids using explicit water by Núñez-Rojas, Edgar, García-Melgarejo, Valeria, Pérez de la Luz, Alexander, Alejandre, José

    Published in Fluid phase equilibria
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