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Physical Chemistry Chemical Physics

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Paper

Adsorption in zeolites using mechanically embedded ONIOM clusters

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Corresponding authors
a
Department of Chemical and Biomolecular Engineering, University of Delaware, Newark, USA
E-mail: cstavros@udel.edu
Tel: +1-302-831-0362
b
Catalysis Center for Energy Innovation (CCEI),
Web: http://www.efrc.udel.edu
Phys. Chem. Chem. Phys., 2016,18, 26094-26106

DOI: 10.1039/C6CP03266D
Received 13 May 2016, Accepted 29 Aug 2016
First published online 01 Sep 2016
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Open Access
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