Search Results - Schuitemaker, Alicia

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  1. 1
    Computer Simulations of the Adsorption of Organic Molecules on Calcium Carbonate

    Computer Simulations of the Adsorption of Organic Molecules on Calcium Carbonate by Schuitemaker, Alicia

    Published 2019
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  2. 2
    Ion Pairing and Multiple Ion Binding in Calcium Carbonate Solutions Based on a Polarizable AMOEBA Force Field and Ab Initio Molecular Dynamics

    Ion Pairing and Multiple Ion Binding in Calcium Carbonate Solutions Based on a Polarizable AMOEBA Force Field and Ab Initio Molecular Dynamics by Raiteri, Paolo, Schuitemaker, Alicia, Gale, Julian

    Published 2020
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  3. 3
    The atomic structure and dynamics at the CaCO3 vaterite-water interface: A classical molecular dynamics study

    The atomic structure and dynamics at the CaCO3 vaterite-water interface: A classical molecular dynamics study by Schuitemaker, Alicia, Raiteri, Paolo, Demichelis, Raffaella

    Published 2021
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  4. 4
    Determining the Adsorption Free Energies of Small Organic Molecules and Intrinsic Ions at the Terrace and Steps of Calcite

    Determining the Adsorption Free Energies of Small Organic Molecules and Intrinsic Ions at the Terrace and Steps of Calcite by Aufort, Julie, Schuitemaker, Alicia, Green, R., Demichelis, Raffaella, Raiteri, Paolo, Gale, Julian

    Published 2022
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  5. 5
    Simulating the binding of key organic functional groups to aqueous calcium carbonate species

    Simulating the binding of key organic functional groups to aqueous calcium carbonate species by Schuitemaker, Alicia, Aufort, Julie, Koziara, K.B., Demichelis, Raffaella, Raiteri, Paolo, Gale, Julian

    Published 2021
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