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

Antoni Macià EscatllarPiero UgliengoStefan Bromley2024-08-152024-08-152017jz000078-0083https://tustorage.ulb.tu-darmstadt.de/handle/tustorage/8686540Computing Free Energies of Hydroxylated Silica Nanoclusters: Forcefield versus Density Functional CalculationsArticlehttps://doi.org/10.3390/inorganics5030041