| Symmetry-adapted configurational modelling of fractional site occupancy in solids R Grau-Crespo, S Hamad, CRA Catlow, NH De Leeuw Journal of Physics: Condensed Matter 19 (25), 256201, 2007 | 350 | 2007 |
| Structure and Stability of Small TiO2 Nanoparticles S Hamad, CRA Catlow, SM Woodley, S Lago, JA Mejias The Journal of Physical Chemistry B 109 (33), 15741-15748, 2005 | 285 | 2005 |
| Modelling nano-clusters and nucleation CRA Catlow, ST Bromley, S Hamad, M Mora-Fonz, AA Sokol, ... Physical Chemistry Chemical Physics 12 (4), 786-811, 2010 | 215 | 2010 |
| Surface structures and crystal morphology of ZnS: Computational study S Hamad, S Cristol, CRA Catlow The Journal of Physical Chemistry B 106 (42), 11002-11008, 2002 | 153 | 2002 |
| Selective sulfur dioxide adsorption on crystal defect sites on an isoreticular metal organic framework series LM Rodríguez-Albelo, E López-Maya, S Hamad, AR Ruiz-Salvador, ... Nature communications 8 (1), 14457, 2017 | 149 | 2017 |
| High Capacity Na–O2 Batteries: Key Parameters for Solution-Mediated Discharge L Lutz, W Yin, A Grimaud, D Alves Dalla Corte, M Tang, L Johnson, ... The Journal of Physical Chemistry C 120 (36), 20068-20076, 2016 | 129 | 2016 |
| Structure and properties of ZnS nanoclusters S Hamad, CRA Catlow, E Spanó, JM Matxain, JM Ugalde The Journal of Physical Chemistry B 109 (7), 2703-2709, 2005 | 127 | 2005 |
| Kinetic insights into the role of the solvent in the polymorphism of 5-fluorouracil from molecular dynamics simulations S Hamad, C Moon, CRA Catlow, AT Hulme, SL Price The Journal of Physical Chemistry B 110 (7), 3323-3329, 2006 | 120 | 2006 |
| Porphyrin-based metal-organic frameworks for solar fuel synthesis photocatalysis: band gap tuning via iron substitutions A Aziz, AR Ruiz-Salvador, NC Hernández, S Calero, S Hamad, ... Journal of Materials Chemistry A 5 (23), 11894-11904, 2017 | 117 | 2017 |
| Properties of small TiO 2, ZrO 2 and HfO 2 nanoparticles SM Woodley, S Hamad, JA Mejias, CRA Catlow Journal of Materials Chemistry 16 (20), 1927-1933, 2006 | 99 | 2006 |
| Computational evidence of bubble ZnS clusters E Spano, S Hamad, CRA Catlow The Journal of Physical Chemistry B 107 (38), 10337-10340, 2003 | 98 | 2003 |
| Clustering of glycine molecules in aqueous solution studied by molecular dynamics simulation S Hamad, CE Hughes, CRA Catlow, KDM Harris The Journal of Physical Chemistry B 112 (24), 7280-7288, 2008 | 90 | 2008 |
| Understanding adsorption of highly polar vapors on mesoporous MIL-100 (Cr) and MIL-101 (Cr): Experiments and molecular simulations MF De Lange, JJ Gutierrez-Sevillano, S Hamad, TJH Vlugt, S Calero, ... The Journal of Physical Chemistry C 117 (15), 7613-7622, 2013 | 86 | 2013 |
| Electronic structure of porphyrin-based metal–organic frameworks and their suitability for solar fuel production photocatalysis S Hamad, NC Hernandez, A Aziz, AR Ruiz-Salvador, S Calero, ... Journal of Materials Chemistry A 3 (46), 23458-23465, 2015 | 79 | 2015 |
| Modelling a linker mix‐and‐match approach for controlling the optical excitation gaps and band alignment of zeolitic imidazolate frameworks R Grau‐Crespo, A Aziz, AW Collins, R Crespo‐Otero, NC Hernández, ... Angewandte Chemie 128 (52), 16246-16250, 2016 | 77 | 2016 |
| Emergence of symmetry and chirality in crown ether complexes with alkali metal cations B Martínez-Haya, P Hurtado, AR Hortal, S Hamad, JD Steill, J Oomens The Journal of Physical Chemistry A 114 (26), 7048-7054, 2010 | 76 | 2010 |
| Phase separation and surface segregation in ceria–zirconia solid solutions R Grau-Crespo, NH de Leeuw, S Hamad, UV Waghmare Proceedings of the Royal Society A: Mathematical, Physical and Engineering …, 2011 | 74 | 2011 |
| A multi-technique approach for probing the evolution of structural properties during crystallization of organic materials from solution CE Hughes, S Hamad, KDM Harris, CRA Catlow, PC Griffiths Faraday Discussions 136, 71-89, 2007 | 72 | 2007 |
| Crown Ether Complexes with H3O+ and NH4+: Proton Localization and Proton Bridge Formation P Hurtado, F Gámez, S Hamad, B Martínez-Haya, JD Steill, J Oomens The Journal of Physical Chemistry A 115 (25), 7275-7282, 2011 | 70 | 2011 |
| A Computational Study of the Hydration of the OH Radical S Hamad, S Lago, JA Mejias The Journal of Physical Chemistry A 106 (39), 9104-9113, 2002 | 69 | 2002 |
Sofia CaleroFull Professor, Eindhoven University of TechnologyVerified email at tue.nl
