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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.
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Durgun E, Manzano H, Pellenq RJean-Marc, Grossman JC.  2012.  Understanding and Controlling the Reactivity of the Calcium Silicate phases from First Principles. Chemistry of Materials. 24(7):1262–1267.