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Computing Free Energies of Hydroxylated Silica Nanoclusters: Forcefield versus Density Functional Calculations

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Computing Free Energies of Hydroxylated Silica Nanoclusters: Forcefield versus Density Functional Calculations
(MDPI AG, 2017) Antoni MaciĆ  Escatllar; Piero Ugliengo; Stefan Bromley

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https://tustorage.ulb.tu-darmstadt.de/handle/tustorage/8688

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