Samenvatting
Keywords:density function theory;van der Waals (dispersion) interactions;MP2:DFT hybrid method;molecular recognition;non-localized charge compensation
Summary
This chapter contains sections titled:
* Introduction
* Methodology
* Activation of Hydrocarbons in Zeolites: The Role of Dispersion Interactions
* Molecular-Level Understanding of Complex Catalytic Reactions: MTO Process
* Molecular Recognition and Confinement-Driven Reactivity
* Structural Properties of Zeolites: Framework Al Distribution and Structure and Charge compensation of Extra-framework Cations
*Summary and Outlook
* References
Originele taal-2 | Engels |
---|---|
Titel | Zeolites and Catalysis: Synthesis, Reactions and Applications |
Redacteuren | J. Cejka, A. Corma, S. Zones |
Plaats van productie | Weinheim |
Uitgeverij | Wiley-VCH Verlag |
Pagina's | 301-334 334 |
Aantal pagina's | 387 |
ISBN van geprinte versie | 978-3-527-32514-6 |
DOI's | |
Status | Gepubliceerd - 2010 |