| Understanding gas-induced structural deformation of ZIF-8 CO Ania, E García-Pérez, M Haro, JJ Gutiérrez-Sevillano, T Valdés-Solís, ... The journal of physical chemistry letters 3 (9), 1159-1164, 2012 | 175 | 2012 |
| Effect of Room-Temperature Ionic Liquids on CO2 Separation by a Cu-BTC Metal–Organic Framework JM Vicent-Luna, JJ Gutiérrez-Sevillano, JA Anta, S Calero The Journal of Physical Chemistry C 117 (40), 20762-20768, 2013 | 105 | 2013 |
| Molecular mechanisms for adsorption in Cu-BTC metal organic framework JJ Gutiérrez-Sevillano, JM Vicent-Luna, D Dubbeldam, S Calero The Journal of Physical Chemistry C 117 (21), 11357-11366, 2013 | 103 | 2013 |
| 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 |
| Solubility of the Precombustion Gases CO2, CH4, CO, H2, N2, and H2S in the Ionic Liquid [bmim][Tf2N] from Monte Carlo Simulations M Ramdin, SP Balaji, JM Vicent-Luna, JJ Gutiérrez-Sevillano, S Calero, ... The Journal of Physical Chemistry C 118 (41), 23599-23604, 2014 | 89 | 2014 |
| 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 |
| High adsorption capacities and two-step adsorption of polar adsorbates on copper–benzene-1, 3, 5-tricarboxylate metal–organic framework TRC Van Assche, T Duerinck, JJ Gutierrez Sevillano, S Calero, GV Baron, ... The Journal of Physical Chemistry C 117 (35), 18100-18111, 2013 | 81 | 2013 |
| 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 | 62 | 2013 |
| Enantioselective adsorption of ibuprofen and lysine in metal–organic frameworks JH Thijs, TS ávan Erp Chemical Communications 50 (74), 10849-10852, 2014 | 60 | 2014 |
| 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 | 57 | 2010 |
| Modeling Gas Adsorption in Flexible Metal–Organic Frameworks via Hybrid Monte Carlo/Molecular Dynamics Schemes SMJ Rogge, R Goeminne, R Demuynck, JJ Gutiérrez‐Sevillano, ... Advanced Theory and Simulations, 1800177, 2019 | 54 | 2019 |
| Methane Adsorption in Zr-Based MOFs: Comparison and Critical Evaluation of Force Fields S Vandenbrande, T Verstraelen, JJ Gutiérrez-Sevillano, M Waroquier, ... The Journal of Physical Chemistry C 121 (45), 25309-25322, 2017 | 48 | 2017 |
| Water adsorption in ideal and defective UiO-66 structures G Jajko, JJ Gutiérrez-Sevillano, A Sławek, M Szufla, P Kozyra, D Matoga, ... Microporous and Mesoporous Materials 330, 111555, 2022 | 47 | 2022 |
| Role of Ionic Liquid [EMIM]+[SCN]-in the Adsorption and Diffusion of Gases in Metal-Organic Frameworks JM Vicent-Luna, JJ Gutiérrez-Sevillano, S Hamad, JA Anta, S Calero ACS applied materials & interfaces, 2018 | 47 | 2018 |
| 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 | 47 | 2015 |
| Molecular dynamics simulations of organohalide perovskite precursors: solvent effects in the formation of perovskite solar cells JJ Gutierrez-Sevillano, S Ahmad, S Calero, JA Anta Physical Chemistry Chemical Physics 17 (35), 22770-22777, 2015 | 44 | 2015 |
| Insights on the molecular mechanisms of hydrogen adsorption in zeolites KS Deeg, JJ Gutiérrez-Sevillano, R Bueno-Pérez, JB Parra, CO Ania, ... The Journal of Physical Chemistry C 117 (27), 14374-14380, 2013 | 41 | 2013 |
| π-Complexation for Olefin/Paraffin Separation using Aluminosilicates A Luna-Triguero, A Sławek, R Sánchez-de-Armas, JJ Gutiérrez-Sevillano, ... Chemical Engineering Journal, 122482, 2019 | 39 | 2019 |
| Validation of the CO2/N2O Analogy Using Molecular Simulation Q Chen, SP Balaji, M Ramdin, JJ Gutiérrez-Sevillano, A Bardow, ... Industrial & Engineering Chemistry Research 53 (46), 18081-18090, 2014 | 39 | 2014 |
| Selective Adsorption of Water from Mixtures with 1-Alcohols by Exploitation of Molecular Packing Effects in CuBTC JJ Gutiérrez-Sevillano, S Calero, R Krishna The Journal of Physical Chemistry C 119 (7), 3658-3666, 2015 | 37 | 2015 |
