| Detection of Posner's clusters during calcium phosphate nucleation: a molecular dynamics study G Mancardi, CEH Tamargo, D Di Tommaso, NH De Leeuw Journal of Materials Chemistry B 5 (35), 7274-7284, 2017 | 64 | 2017 |
| A density functional theory study of the structure of pure-silica and aluminium-substituted MFI nanosheets CE Hernandez-Tamargo, A Roldan, NH de Leeuw Journal of Solid State Chemistry 237, 192-203, 2016 | 34 | 2016 |
| DFT modeling of the adsorption of trimethylphosphine oxide at the internal and external surfaces of zeolite MFI CE Hernandez-Tamargo, A Roldan, NH De Leeuw The Journal of Physical Chemistry C 120 (34), 19097-19106, 2016 | 32 | 2016 |
| Mercury exchange in zeolites Na-A and Na-Y studied by classical molecular dynamics simulations and ion exchange experiments C Hernandez-Tamargo, B Kwakye-Awuah, AJ O’Malley, NH de Leeuw Microporous and Mesoporous Materials 315, 110903, 2021 | 18 | 2021 |
| Periodic modeling of zeolite Ti-LTA CE Hernandez-Tamargo, A Roldan, PE Ngoepe, NH de Leeuw The Journal of Chemical Physics 147 (7), 2017 | 16 | 2017 |
| Density functional theory study of the zeolite-mediated tautomerization of phenol and catechol CE Hernandez-Tamargo, A Roldan, NH de Leeuw Molecular Catalysis 433, 334-345, 2017 | 16 | 2017 |
| Influence of topology and Brønsted acid site presence on methanol diffusion in zeolites beta and MFI CH Botchway, R Tia, E Adei, AJ O’malley, NY Dzade, ... Catalysts 10 (11), 1342, 2020 | 13 | 2020 |
| Molecular behaviour of phenol in zeolite Beta catalysts as a function of acid site presence: a quasielastic neutron scattering and molecular dynamics simulation study C Hernandez-Tamargo, A O'Malley, IP Silverwood, NH de Leeuw Catalysis Science & Technology 9 (23), 6700-6713, 2019 | 11 | 2019 |
| Synthesis, Crystal Structures, and Properties of Zeolite‐Like T3(H3O)2[M(CN)6]2·uH2O (T = Co, Zn; M = Ru, Os) L Reguera, NL López, J Rodríguez‐Hernández, M González, ... European Journal of Inorganic Chemistry 2017 (23), 2980-2989, 2017 | 11 | 2017 |
| Study of sulfur adlayers on Au (1 1 1) from basic hydrolysis of piperazine bis (dithiocarbamate) sodium salt JA Martínez, J Valenzuela, CE Hernandez-Tamargo, R Cao-Milán, ... Applied Surface Science 345, 394-399, 2015 | 10 | 2015 |
| Sulfur dimers adsorbed on Au (111) as building blocks for sulfur octomers formation: A density functional study CE Hernandez-Tamargo, AL Montero-Alejo, DC Pujals, H Mikosch, ... The Journal of Chemical Physics 141 (4), 2014 | 9 | 2014 |
| Tautomerization of phenol at the external lewis acid sites of scandium-, iron-and gallium-substituted zeolite MFI C Hernandez-Tamargo, A Roldan, NH de Leeuw The Journal of Physical Chemistry C 123 (13), 7604-7614, 2018 | 7 | 2018 |
| Pyridinic-nitrogen on ordered mesoporous carbon: A versatile NAD (P) H mimic for borrowing-hydrogen reactions TVR Mohan, M Nallagangula, K Kala, CE Hernandez-Tamargo, ... Journal of Catalysis 419, 80-98, 2023 | 6 | 2023 |
| Calcium Phosphate Deposition on Planar and Stepped (101) Surfaces of Anatase TiO2: Introducing an Interatomic Potential for the TiO2/Ca-PO4/Water Interface G Mancardi, C Hernandez Tamargo, U Terranova, NH De Leeuw Langmuir 34 (34), 10144-10152, 2018 | 6 | 2018 |
| Density functional theory simulation of the adsorption of sulphur multilayers on Au (100) CE Hernandez-Tamargo, R Barzaga, H Mikosch, JA Martínez, JA Herrera, ... Physical Chemistry Chemical Physics 18 (43), 29987-29998, 2016 | 5 | 2016 |
| Quasielastic neutron scattering and molecular dynamics simulation study on the molecular behaviour of catechol in zeolite beta C Hernandez-Tamargo, IP Silverwood, AJ O’malley, NH Leeuw Topics in Catalysis 64 (9), 707-721, 2021 | 4 | 2021 |
| Local and nanoscale methanol mobility in different H-FER catalysts AJ Porter, CH Botchway, B Kwakye-Awuah, C Hernandez-Tamargo, ... Catalysis Science & Technology 12 (5), 1663-1677, 2022 | 2 | 2022 |
| Nanostructured zeolite with brain-coral morphology and tailored acidity: a self-organized hierarchical porous material with MFI topology E Selvam, RK Parsapur, CE Hernandez-Tamargo, NH de Leeuw, ... CrystEngComm 22 (38), 6275-6286, 2020 | 2 | 2020 |
| Modelling of borrowing hydrogen amination reactions of alcohols and amines in NaOH-or KOH-containing media over metal-free ordered mesoporous nitrogenous carbon catalyst CE Hernandez-Tamargo, TVR Mohan, P Selvama ARKIVOC 3, S1-S5, 2024 | | 2024 |
| Pyridinic-Nitrogen Containing Ordered Mesoporous Carbons as Nad (P) H Mimics for Borrowing Hydrogen Reactions P Selvam, TVR Mohan, N Madhu, K Kala, CE Hernandez-Tamargo, ... Available at SSRN 4278681, 0 | | |
