Structure of hydrated microporous aluminophosphates: static and molecular dynamics approaches of AlPO4-34 from first principles calculations

G. Poulet , P. Sautet (1) , A. Tuel (1)

1 IRC - Institut de recherches sur la catalyse

Domaines: Catalyse

G. Poulet, P. Sautet, A. Tuel. Structure of hydrated microporous aluminophosphates: static and molecular dynamics approaches of AlPO4-34 from first principles calculations. Journal of Physical Chemistry B, 2002, 106, pp.8599-8608. ⟨hal-00007191⟩