| 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 | 92 | 2018 |
| 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 | 85 | 2020 |
| 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 | 65 | 2020 |
| How symmetry factors cause potential-and facet-dependent pathway shifts during CO2 reduction to CH4 on Cu electrodes A Rendon-Calle, QH Low, SHL Hong, S Builes, BS Yeo, F Calle-Vallejo Applied Catalysis B: Environmental 285, 119776, 2021 | 34 | 2021 |
| Predictions of fluidities of amines by molecular simulations: TraPPE-EH vs. OPLS-AA A Rendón-Calle, GA Orozco, S Builes Fluid Phase Equilibria 464, 40-46, 2018 | 4 | 2018 |
| Improving DFT-based approaches to study CO2 electroreduction on transition metals JAR Calle repository.eafit.edu.co, 2021 | | 2021 |
| Supporting Information A Semiempirical Method to Detect and Correct DFT-Based Gas-Phase Errors and Its Application in Electrocatalysis LP Granda-Marulanda, A Rendón-Calle, S Builes, F Illas, M TM | | |
Santiago BuilesUniversidad EAFITVerified email at eafit.edu.co
Santiago BuilesUniversidad EAFITVerified email at eafit.edu.co