Parametrization of a classical force field for iron oxyhydroxide/water interfaces based on Density Functional Theory calculations

Parametrization of a classical force field for iron oxyhydroxide/water interfaces based on Density Functional Theory calculations

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 92, September 2014, Pages 343-352

Julen Larrucea, Steffen Lid, Lucio Colombi Ciacchi,