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Ab initio derived force-field parameters for molecular dynamics simulations of deprotonated amorphous-SiO2/water interfaces
journal contribution
posted on 2012-02-01, 00:00 authored by A Butenuth, G Moras, J Schneider, M Koleini, S Koppen, R Meißner, L Wright, Tiffany WalshTiffany Walsh, L CiacchiAb initio derived force-field parameters for molecular dynamics simulations of deprotonated amorphous-SiO2/water interfaces