Hernandez Tamargo, Carlos, Silverwood, Ian P., O'Malley, Alexander J. and Leeuw, Nora H. de 2021. Quasielastic neutron scattering and molecular dynamics simulation study on the molecular behaviour of catechol in zeolite Beta. Topics in Catalysis 64 , pp. 707-721. 10.1007/s11244-020-01400-1 |
Hernandez-Tamargo, Carlos, Kwakye-Awuah, Bright, O'Malley, Alexander J. and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 |
Botchway, Cecil H., Tia, Richard, Adei, Evans, O'Malley, Alexander J., Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473, Hernandez-Tamargo, Carlos and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2020. Influence of topology and brønsted acid site presence on methanol diffusion in zeolites beta and MFI. Catalysts 10 (11) , 1342. 10.3390/catal10111342 |
Selvam, Esun, Parsapur, Rajesh, Hernandez-Tamargo, Carlos, de Leeuw, Nora ORCID: https://orcid.org/0000-0002-8271-0545 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 |
Hernandez Tamargo, Carlos, O'Malley, Alexander, Silverwood, Ian P. and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 |
Hernandez Tamargo, Carlos, Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 |
Mancardi, Giulia, Hernandez Tamargo, Carlos, Terranova, Umberto and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 |
Mancardi, Giulia, Hernandez Tamargo, Carlos Ernesto, Di Tommaso, Devis and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2017. Detection of Posner's clusters during calcium phosphate nucleation: a molecular dynamics study. Journal of Materials Chemistry B 10.1039/C7TB01199G |