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Pulido, A.; Boronat Zaragoza, M.; Corma Canós, A. (2012). Propene epoxidation with H2/H2O/O-2 mixtures over gold atoms supported on defective graphene: A theoretical study. Journal of Physical Chemistry C. 116(36):19355-19362. https://doi.org/10.1021/jp3055125
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Título: | Propene epoxidation with H2/H2O/O-2 mixtures over gold atoms supported on defective graphene: A theoretical study | |
Autor: | Pulido, Angeles | |
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[EN] The mechanism of propene epoxidation by H-2/H2O/O-2 mixtures catalyzed by gold atoms supported on defective graphene has been investigated by means of periodic density functional theory (DFT) calculations. The fact ...[+]
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Derechos de uso: | Cerrado | |
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Versión del editor: | http://dx.doi.org/10.1021/jp3055125 | |
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The authors thank Spanish MINECO (MAT2011-28009 and Consolider Ingenio 2010-MULTICAT, CSD2009-00050) and Generalitat Valenciana (PROMETEO/2008/130) for financial support and Red Espanola de Supercomputacion (RES) and Centre ...[+]
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