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Jiménez-Ruiz, M.; Gahle, DS.; Lemishko, T.; Valencia Valencia, S.; Sastre Navarro, GI.; Rey Garcia, F. (2020). Evidence of Hydronium Formation in Water-Chabazite Zeolite Using Inelastic Neutron Scattering Experiments and ab Initio Molecular Dynamics Simulations. The Journal of Physical Chemistry C. 124(9):5436-5443. https://doi.org/10.1021/acs.jpcc.9b11081
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Título: | Evidence of Hydronium Formation in Water-Chabazite Zeolite Using Inelastic Neutron Scattering Experiments and ab Initio Molecular Dynamics Simulations | |
Autor: | Jiménez-Ruiz, M. Gahle, D. S. Lemishko, T. | |
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[EN] A combined study of inelastic neutron scattering and ab initio molecular dynamics simulations has been performed in order to study the water-acid site interaction in zeolite chabazite with a ratio Si/Al = 16 that ...[+]
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Derechos de uso: | Reserva de todos los derechos | |
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Versión del editor: | https://doi.org/10.1021/acs.jpcc.9b11081 | |
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We thank MICINN of Spain for funding through Projects RTI2018-101784-B-I00 and SEV-2016-0683. The authors thank the ILL for neutron beam-time allocation (experiment 7-05-456) and the ILL C-Lab for support. A. Moraleda is ...[+]
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