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Manzano H, Pellenq RJean-Marc, Ulm F-J, Buehler MJ, Van Duin ACT.  2012.  Hydration of calcium oxide surface predicted by reactive force field molecular dynamics. Langmuir. 28(9):4187–4197.
Manzano H, Moeini S, Marinelli F, Van Duin ACT, Ulm F-J, Pellenq RJean-Marc.  2012.  Confined water dissociation in microporous defective silicates: Mechanism, dipole distribution, and impact on substrate properties. Journal of the American Chemical Society. 134(4):2208–2215.
Manzano H, Durgun E, Qomi M J A, Ulm F-J, Pellenq RJean-Marc, Grossman JC.  2011.  Impact of Chemical Impurities on the Crystalline Cement Clinker Phases Determined by Atomistic Simulations. Crystal Growth & Design. 11(7):2964-2972.