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First principles molecular dynamics calculation of the structure and acidity of a bulk zeolite Campana, Luca; Selloni, Annabella; Weber, Jacques; Pasquarello, Alfredo; ... Goursot, Annick 1994
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Structure and Stability of Zeolite Offretite under Si4+/(Al3+, M+) Substitution (M = Na, K): A First Principles Molecular Dynamics Study Campana, Luca; Selloni, Annabella; Weber, Jacques; Goursot, Annick 1995
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Cation siting and dynamical properties of zeolite offretite from first principles molecular dynamics Campana, Luca; Selloni, Annabella; Weber, Jacques; Goursot, Annick 1997
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First-principles molecular dynamics investigations of the stability of zeolite offretite under various Si4+/(Al3+,H+) substitutions Campana, Luca; Selloni, Annabella; Weber, Jacques; Goursot, Annick 1997