The adsorption of saturated and unsaturated hydrocarbons on nanostructured zeolites (H-MOR and H-FAU): An ONIOM study

The adsorption of saturated and unsaturated hydrocarbons on nanostructured zeolites (H-MOR and H-FAU): An ONIOM study

The adsorption and interactions of light alkanes and alkenes on acidic zeolites (H-MOR and H-FAU) were theoretically studied using the ONIOM approach. With the basis set superposition error (BSSE) corrections, the ONIOM(MP2/6-31G(d,p):UFF//B3LYP/6-31G(d,p):UFF) adsorption energies of alkanes (ethane...

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Bibliographic Details
Main Authors: Piboon Pantu, Bundet Boekfa, Jumras Limtrakul
Other Authors: Mahidol University
Format: Article
Published: 2018
Subjects:
Chemical Engineering
Chemistry
Online Access:https://repository.li.mahidol.ac.th/handle/123456789/24305
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Institution: Mahidol University

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https://repository.li.mahidol.ac.th/handle/123456789/24305

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