Browsing GPC Research by Author "Coveney P.V."
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Ab initio molecular dynamics study of the interlayer and micropore structure of aqueous montmorillonite clays
Suter, J.L.; Kabalan, L.; Khader, M.; Coveney, P.V. ( Elsevier Ltd , 2015 , Article)Ab initio molecular dynamics simulations have been performed to gain an understanding of the interfacial microscopic structure and reactivity of fully hydrated clay edges. The models studied include both micropore and ...