| Molecular simulations for adsorption and separation of natural gas in IRMOF-1 and Cu-BTC metal-organic frameworks A Martín-Calvo, E García-Pérez, JM Castillo, S Calero Physical Chemistry Chemical Physics 10 (47), 7085-7091, 2008 | 127 | 2008 |
| Fick diffusion coefficients in ternary liquid systems from equilibrium molecular dynamics simulations X Liu, A Martín-Calvo, E McGarrity, SK Schnell, S Calero, JM Simon, ... Industrial & engineering chemistry research 51 (30), 10247-10258, 2012 | 118 | 2012 |
| Zeolite screening for the separation of gas mixtures containing SO 2, CO 2 and CO I Matito-Martos, A Martin-Calvo, JJ Gutiérrez-Sevillano, M Haranczyk, ... Physical Chemistry Chemical Physics 16 (37), 19884-19893, 2014 | 99 | 2014 |
| Understanding carbon monoxide capture using metal–organic frameworks A Martín-Calvo, FD Lahoz-Martín, S Calero The Journal of Physical Chemistry C 116 (11), 6655-6663, 2012 | 75 | 2012 |
| Adsorption of hydrogen sulphide on metal-organic frameworks JJ Gutiérrez-Sevillano, A Martín-Calvo, D Dubbeldam, S Calero, S Hamad Rsc Advances 3 (34), 14737-14749, 2013 | 64 | 2013 |
| A new honeycomb carbon monolith for CO2 capture by rapid temperature swing adsorption using steam regeneration B Verougstraete, A Martin-Calvo, S Van der Perre, G Baron, V Finsy, ... Chemical Engineering Journal 383, 123075, 2020 | 61 | 2020 |
| Enantioselective adsorption of ibuprofen and lysine in metal–organic frameworks R Bueno-Perez, A Martin-Calvo, P Gómez-Álvarez, JJ Gutiérrez-Sevillano, ... Chemical Communications 50 (74), 10849-10852, 2014 | 61 | 2014 |
| Insights on the anomalous adsorption of carbon dioxide in LTA zeolites A Martin-Calvo, JB Parra, CO Ania, S Calero The Journal of Physical Chemistry C 118 (44), 25460-25467, 2014 | 60 | 2014 |
| Effect of air humidity on the removal of carbon tetrachloride from air using Cu–BTC metal–organic framework A Martín-Calvo, E García-Pérez, A García-Sánchez, R Bueno-Pérez, ... Physical Chemistry Chemical Physics 13 (23), 11165-11174, 2011 | 58 | 2011 |
| Analysis of the ITQ-12 zeolite performance in propane− propylene separations using a combination of experiments and molecular simulations JJ Gutiérrez-Sevillano, D Dubbeldam, F Rey, S Valencia, M Palomino, ... The Journal of Physical Chemistry C 114 (35), 14907-14914, 2010 | 58 | 2010 |
| Role of hydrogen bonding in the capture and storage of ammonia in zeolites I Matito-Martos, A Martin-Calvo, CO Ania, JB Parra, JM Vicent-Luna, ... Chemical Engineering Journal 387, 124062, 2020 | 54 | 2020 |
| Enantioselective adsorption in achiral zeolites TS van Erp, TP Caremans, D Dubbeldam, A Martin‐Calvo, S Calero, ... Angewandte Chemie 122 (17), 3074-3077, 2010 | 50 | 2010 |
| Transferable force fields for adsorption of small gases in zeolites A Martin-Calvo, JJ Gutiérrez-Sevillano, JB Parra, CO Ania, S Calero Physical Chemistry Chemical Physics 17 (37), 24048-24055, 2015 | 48 | 2015 |
| On the performance of Cu-BTC metal organic framework for carbon tetrachloride gas removal S Calero, A Martín-Calvo, S Hamad, E García-Pérez Chemical Communications 47 (1), 508-510, 2011 | 46 | 2011 |
| Selective separation of BTEX mixtures using metal–organic frameworks FD Lahoz-Martín, A Martín-Calvo, S Calero The Journal of Physical Chemistry C 118 (24), 13126-13136, 2014 | 39 | 2014 |
| Intensified biobutanol recovery by using zeolites with complementary selectivity S Van der Perre, P Gelin, B Claessens, A Martin‐Calvo, ... ChemSusChem 10 (14), 2968-2977, 2017 | 37 | 2017 |
| Zeolites for the selective adsorption of sulfur hexafluoride I Matito-Martos, J Álvarez-Ossorio, JJ Gutiérrez-Sevillano, M Doblaré, ... Physical Chemistry Chemical Physics 17 (27), 18121-18130, 2015 | 32 | 2015 |
| Identifying zeolite topologies for storage and release of hydrogen A Martin-Calvo, JJ Gutiérrez-Sevillano, I Matito-Martos, TJH Vlugt, ... The Journal of Physical Chemistry C 122 (23), 12485-12493, 2018 | 26 | 2018 |
| Adsorption equilibrium of nitrogen dioxide in porous materials I Matito-Martos, A Rahbari, A Martin-Calvo, D Dubbeldam, TJH Vlugt, ... Physical Chemistry Chemical Physics 20 (6), 4189-4199, 2018 | 26 | 2018 |
| Improving ammonia production using zeolites I Matito-Martos, J García-Reyes, A Martin-Calvo, D Dubbeldam, S Calero The Journal of Physical Chemistry C 123 (30), 18475-18481, 2019 | 24 | 2019 |