| Silica surface features and their role in the adsorption of biomolecules: computational modeling and experiments A Rimola, D Costa, M Sodupe, JF Lambert, P Ugliengo Chemical reviews 113 (6), 4216-4313, 2013 | 640 | 2013 |
| Design, selection, and characterization of thioflavin-based intercalation compounds with metal chelating properties for application in Alzheimer’s disease C Rodríguez-Rodríguez, N Sanchez de Groot, A Rimola, ... Journal of the American Chemical Society 131 (4), 1436-1451, 2009 | 249 | 2009 |
| Seeds of life in space (SOLIS): the organic composition diversity at 300–1000 au scale in solar-type star-forming regions C Ceccarelli, P Caselli, F Fontani, R Neri, A López-Sepulcre, C Codella, ... The Astrophysical Journal 850 (2), 176, 2017 | 159 | 2017 |
| Hydroxyapatite as a key biomaterial: quantum-mechanical simulation of its surfaces in interaction with biomolecules M Corno, A Rimola, V Bolis, P Ugliengo Physical Chemistry Chemical Physics 12 (24), 6309-6329, 2010 | 146 | 2010 |
| Affinity scale for the interaction of amino acids with silica surfaces A Rimola, M Sodupe, P Ugliengo The Journal of Physical Chemistry C 113 (14), 5741-5750, 2009 | 139 | 2009 |
| Ab Initio Modeling of Protein/Biomaterial Interactions: Glycine Adsorption at Hydroxyapatite Surfaces A Rimola, M Corno, CM Zicovich-Wilson, P Ugliengo Journal of the American Chemical Society 130 (48), 16181-16183, 2008 | 126 | 2008 |
| Seeds of Life in Space (SOLIS)-II. Formamide in protostellar shocks: Evidence for gas-phase formation C Codella, C Ceccarelli, P Caselli, N Balucani, V Barone, F Fontani, ... Astronomy & Astrophysics 605, L3, 2017 | 125 | 2017 |
| Interaction of glycine with isolated hydroxyl groups at the silica surface: First principles B3LYP periodic simulation A Rimola, M Sodupe, S Tosoni, B Civalleri, P Ugliengo Langmuir 22 (15), 6593-6604, 2006 | 111 | 2006 |
| Combined quantum chemical and modeling study of CO hydrogenation on water ice A Rimola, V Taquet, P Ugliengo, N Balucani, C Ceccarelli Astronomy & Astrophysics 572, A70, 2014 | 106 | 2014 |
| Can formamide be formed on interstellar ice? An atomistic perspective A Rimola, D Skouteris, N Balucani, C Ceccarelli, J Enrique-Romero, ... ACS Earth and Space Chemistry 2 (7), 720-734, 2018 | 104 | 2018 |
| Deep-space glycine formation via Strecker-type reactions activated by ice water dust mantles. A computational approach A Rimola, M Sodupe, P Ugliengo Physical Chemistry Chemical Physics 12 (20), 5285-5294, 2010 | 102 | 2010 |
| Crystal structure of thioflavin-T and its binding to amyloid fibrils: insights at the molecular level C Rodríguez-Rodríguez, A Rimola, L Rodríguez-Santiago, P Ugliengo, ... Chemical Communications 46 (7), 1156-1158, 2010 | 100 | 2010 |
| Aluminosilicate surfaces as promoters for peptide bond formation: An assessment of Bernal's hypothesis by ab Initio methods A Rimola, M Sodupe, P Ugliengo Journal of the American Chemical Society 129 (26), 8333-8344, 2007 | 98 | 2007 |
| Does Silica Surface Catalyse Peptide Bond Formation? New Insights from First‐Principles Calculations A Rimola, S Tosoni, M Sodupe, P Ugliengo ChemPhysChem 7 (1), 157-163, 2006 | 97 | 2006 |
| Ground and Low-Lying States of Cu2+−H2O. A Difficult Case for Density Functional Methods J Poater, M Sola, A Rimola, L Rodriguez-Santiago, M Sodupe The Journal of Physical Chemistry A 108 (28), 6072-6078, 2004 | 97 | 2004 |
| Cation−π Interactions and Oxidative Effects on Cu+ and Cu2+ Binding to Phe, Tyr, Trp, and His Amino Acids in the Gas Phase. Insights from First-Principles … A Rimola, L Rodríguez-Santiago, M Sodupe The Journal of Physical Chemistry B 110 (47), 24189-24199, 2006 | 96 | 2006 |
| Binding energies of interstellar molecules on crystalline and amorphous models of water ice by ab initio calculations S Ferrero, L Zamirri, C Ceccarelli, A Witzel, A Rimola, P Ugliengo The Astrophysical Journal 904 (1), 11, 2020 | 87 | 2020 |
| Thermal desorption of interstellar ices: A review on the controlling parameters and their implications from snowlines to chemical complexity M Minissale, Y Aikawa, E Bergin, M Bertin, WA Brown, S Cazaux, ... ACS Earth and Space Chemistry 6 (3), 597-630, 2022 | 80 | 2022 |
| The (impossible?) formation of acetaldehyde on the grain surfaces: insights from quantum chemical calculations J Enrique-Romero, A Rimola, C Ceccarelli, N Balucani Monthly Notices of the Royal Astronomical Society: Letters 459 (1), L6-L10, 2016 | 70 | 2016 |
| Physisorption of aromatic organic contaminants at the surface of hydrophobic/hydrophilic silica geosorbents: a B3LYP-D modeling study A Rimola, B Civalleri, P Ugliengo Physical Chemistry Chemical Physics 12 (24), 6357-6366, 2010 | 67 | 2010 |
