| Isosteric heats of gas and liquid adsorption S Builes, SI Sandler, R Xiong Langmuir 29 (33), 10416-10422, 2013 | 144 | 2013 |
| A semiempirical method to detect and correct DFT-based gas-phase errors and its application in electrocatalysis LP Granda-Marulanda, A Rendon-Calle, S Builes, F Illas, MTM Koper, ... ACS Catalysis 10 (12), 6900-6907, 2020 | 107 | 2020 |
| A brief review of the computational modeling of CO2 electroreduction on Cu electrodes A Rendón-Calle, S Builes, F Calle-Vallejo Current Opinion in Electrochemistry 9, 158-165, 2018 | 106 | 2018 |
| Substantial improvement of electrocatalytic predictions by systematic assessment of solvent effects on adsorption energies A Rendón-Calle, S Builes, F Calle-Vallejo Applied Catalysis B: Environmental 276, 119147, 2020 | 75 | 2020 |
| Microporous carbon adsorbents with high CO 2 capacities for industrial applications S Builes, T Roussel, CM Ghimbeu, J Parmentier, R Gadiou, C Vix-Guterl, ... Physical Chemistry Chemical Physics 13 (35), 16063-16070, 2011 | 72 | 2011 |
| Optimization of the separation of sulfur hexafluoride and nitrogen by selective adsorption using monte carlo simulations S Builes, T Roussel, LF Vega AIChE journal 57 (4), 962-974, 2011 | 59 | 2011 |
| Effect of immobilized amines on the sorption properties of solid materials: impregnation versus grafting S Builes, LF Vega Langmuir 29 (1), 199-206, 2013 | 58 | 2013 |
| Understanding CO2 Capture in Amine-Functionalized MCM-41 by Molecular Simulation S Builes, LF Vega The Journal of Physical Chemistry C 116 (4), 3017-3024, 2012 | 57 | 2012 |
| Adsorption of cadmium using biochars produced from agro-residues JE López, S Builes, MA Heredia Salgado, LAC Tarelho, C Arroyave, ... The Journal of Physical Chemistry C 124 (27), 14592-14602, 2020 | 53 | 2020 |
| Analysis of CO2 Adsorption in Amine-Functionalized Porous Silicas by Molecular Simulations S Builes, P López-Aranguren, J Fraile, LF Vega, C Domingo Energy & Fuels 29 (6), 3855-3862, 2015 | 50 | 2015 |
| Effect of Amine Functionalization of MOF Adsorbents for Enhanced CO2 Capture and Separation: A Molecular Simulation Study D Bahamon, W Anlu, S Builes, M Khaleel, LF Vega Frontiers in Chemistry 8, 574622, 2021 | 38 | 2021 |
| How symmetry factors cause potential-and facet-dependent pathway shifts during CO2 reduction to CH4 on Cu electrodes A Rendón-Calle, QH Low, SHL Hong, S Builes, BS Yeo, F Calle-Vallejo Applied Catalysis B: Environmental 285, 119776, 2021 | 37 | 2021 |
| Fast correction of errors in the DFT‐calculated energies of gaseous nitrogen‐containing species R Urrego‐Ortiz, S Builes, F Calle‐Vallejo ChemCatChem 13 (10), 2508-2516, 2021 | 36 | 2021 |
| Impact of Intrinsic Density Functional Theory Errors on the Predictive Power of Nitrogen Cycle Electrocatalysis Models R Urrego-Ortiz, S Builes, F Calle-Vallejo ACS catalysis 12 (8), 4784-4791, 2022 | 34 | 2022 |
| Understanding the Performance of New Amine-Functionalized Mesoporous Silica Materials for CO2 Adsorption P López-Aranguren, S Builes, J Fraile, LF Vega, C Domingo Industrial & Engineering Chemistry Research 53 (40), 15611-15619, 2014 | 33 | 2014 |
| Alkylsilane-functionalized microporous and mesoporous materials: molecular simulation and experimental analysis of gas adsorption S Builes, P López-Aranguren, J Fraile, LF Vega, C Domingo The Journal of Physical Chemistry C 116 (18), 10150-10161, 2012 | 31 | 2012 |
| Reducing cadmium bioaccumulation in Theobroma cacao using biochar: basis for scaling-up to field JE López, C Arroyave, A Aristizábal, B Almeida, S Builes, E Chavez Heliyon 8 (6), e09790, 2022 | 29 | 2022 |
| A comparative assessment of emerging solvents and adsorbents for mitigating CO2 emissions from the industrial sector by using molecular modeling tools. D Bahamon Garcia, III Alkhatib, N Alkhatib, S Builes, M Sinnokrot, ... Frontiers in Energy Research 8, 165, 2020 | 29 | 2020 |
| Hybrid aminopolymer–silica materials for efficient CO 2 adsorption P López-Aranguren, S Builes, J Fraile, A López-Periago, LF Vega, ... RSC Advances 5 (127), 104943-104953, 2015 | 27 | 2015 |
| Gas-phase errors in computational electrocatalysis: a review R Urrego-Ortiz, S Builes, F Illas, F Calle-Vallejo EES Catalysis, 2024 | 20 | 2024 |
Lourdes F. VegaDirector, Research and Innovation Center on CO2 and Hydrogen (RICH), Professor, Khalifa University確認したメール アドレス: ku.ac.ae
