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A Theoretical View and Approach to the Physics and Chemistry of Zeolites and Molecular Sieves

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Theoretical Aspects of Heterogeneous Catalysis

Part of the book series: Van Nostrand Reinhold Catalysis Series ((NRECSES))

Abstract

The understanding and modeling of catalysts and catalytic behavior at the molecular level can benefit from accurate and significant quantum chemical calculations or molecular statistics and dynamic simulations or all three procedures. Although theory has so far had a limited impact on the understanding and prediction of catalysis, the advent of more powerful computing facilities, which permit more complex calculations and simulations representing more realistically the systems of interest, makes this area of research one of potential and rapid growth.

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Authors
  1. E. G. Derouane
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  2. J.-M. André
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  3. L. Leherte
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  4. P. Galet
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  5. D. Vanderveken
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  6. D. P. Vercauteren
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  7. J. G. Fripiat
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© 1990 Van Nostrand Reinhold

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Derouane, E.G. et al. (1990). A Theoretical View and Approach to the Physics and Chemistry of Zeolites and Molecular Sieves. In: Theoretical Aspects of Heterogeneous Catalysis. Van Nostrand Reinhold Catalysis Series. Springer, Dordrecht. https://doi.org/10.1007/978-94-010-9882-3_1

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  • DOI: https://doi.org/10.1007/978-94-010-9882-3_1

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-9884-7

  • Online ISBN: 978-94-010-9882-3

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