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- W2952207726 abstract "The applicability of molecular dynamics (MD) and computer graphics (CG) to investigating the structure and function of ion-exchanged zeolites was demonstrated for (i)reproducing the known structures of various zeolites, (ii) determining the unknown positions of Al in T-site and exchanged cations, (iii) understanding the role of zeolite framework in CuZSM-5 for the direct decomposition of NO to N2 and O2, and (iv) understanding the dynamic mechanism in the molecular sieving process of O2 and N2 in A-type zeolites." @default.
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- W2952207726 date "1994-01-01" @default.
- W2952207726 modified "2023-09-27" @default.
- W2952207726 title "Structure and Dynamics of Ion-exchanged Zeolites as Investigated by Molecular Dynamics and Computer Graphics" @default.
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- W2952207726 doi "https://doi.org/10.1016/s0167-2991(08)63249-8" @default.
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