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Hernandez-Tamargo, Carlos, Kwakye-Awuah, Bright, O'Malley, Alexander J. and de Leeuw, Nora H.
2021.
Mercury exchange in zeolites Na-A and Na-Y studied by classical molecular dynamics simulations and ion exchange experiments.
Microporous and Mesoporous Materials
315
, 110903.
10.1016/j.micromeso.2021.110903
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Hernandez Tamargo, Carlos, Silverwood, Ian P., O'Malley, Alexander J. and Leeuw, Nora H. de
2020.
Quasielastic neutron scattering and molecular dynamics simulation study on the molecular behaviour of catechol in zeolite Beta.
Topics in Catalysis
10.1007/s11244-020-01400-1
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Botchway, Cecil H., Tia, Richard, Adei, Evans, O'Malley, Alexander J., Dzade, Nelson Y., Hernandez-Tamargo, Carlos and de Leeuw, Nora H.
2020.
Influence of topology and brønsted acid site presence on methanol diffusion in zeolites beta and MFI.
Catalysts
10
(11)
, 1342.
10.3390/catal10111342
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Selvam, Esun, Parsapur, Rajesh, Hernandez-Tamargo, Carlos, de Leeuw, Nora and Selvam, Parasuraman
2020.
Nanostructured zeolite with brain-coral morphology and tailored acidity: a self-organized hierarchical porous material with MFI topology.
CrystEngComm
22
(38)
, pp. 6275-6286.
10.1039/d0ce00989j
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Hernandez Tamargo, Carlos, O'Malley, Alexander, Silverwood, Ian P. and de Leeuw, Nora H.
2019.
Molecular behaviour of phenol in zeolite Beta catalysts as a function of acid site presence: a quasielastic neutron scattering and molecular dynamics simulation study.
Catalysis Science and Technology
9
(23)
, pp. 6700-6713.
10.1039/C9CY01548E
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Hernandez Tamargo, Carlos, Roldan Martinez, Alberto and de Leeuw, Nora H.
2019.
Tautomerization of phenol at the external lewis acid sites of scandium-, iron- and gallium-substituted zeolite MFI.
Journal of Physical Chemistry C
123
(13)
, 7604.
10.1021/acs.jpcc.8b02455
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Mancardi, Giulia, Hernandez Tamargo, Carlos, Terranova, Umberto and De Leeuw, Nora H. 2018. Calcium phosphate deposition on planar and stepped (101) surfaces of anatase TiO2: Introducing an interatomic potential for the TiO2/Ca-PO4/Water interface. Langmuir 34 (34) , pp. 10144-10152. 10.1021/acs.langmuir.8b00984 |
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Mancardi, Giulia, Hernandez Tamargo, Carlos Ernesto, Di Tommaso, Devis and De Leeuw, Nora H. 2017. Detection of Posner's clusters during calcium phosphate nucleation: a molecular dynamics study. Journal of Materials Chemistry B 10.1039/C7TB01199G |
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