Abstract
This contribution demonstrates the usefulness of molecular graphics, molecular mechanics, and molecular dynamics in the study of the structural, thermodynamic, and transport properties of different sorbates within various molecular sieves. Five significant applications to zeolite chemistry are reviewed.
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References
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© 1993 Springer Science+Business Media Dordrecht
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Vercauteren, D.P., Leherte, L., Vanderveken, D.J., Horsley, J.A., Freeman, C.M., Derouane, E.G. (1993). Molecular Modeling and Molecular Graphics of Sorbates in Molecular Sieves. In: Joyner, R.W., van Santen, R.A. (eds) Elementary Reaction Steps in Heterogeneous Catalysis. NATO ASI Series, vol 398. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-1693-0_24
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DOI: https://doi.org/10.1007/978-94-011-1693-0_24
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