Acidity and basicity interplay in amide and imide self-association WEV Narváez, EI Jiménez, E Romero-Montalvo, A Sauza-de la Vega, ... Chemical science 9 (19), 4402-4413, 2018 | 29 | 2018 |
Multiconfiguration Pair-Density Functional Theory for Chromium (IV) Molecular Qubits A Sauza-de la Vega, R Pandharkar, GD Stroscio, A Sarkar, DG Truhlar, ... | 10 | 2022 |
Cooperativity and Anticooperativity in Ion‐Water Interactions: Implications for the Aqueous Solvation of Ions A Sauza‐de la Vega, T Rocha‐Rinza, JM Guevara‐Vela ChemPhysChem 22 (12), 1269-1285, 2021 | 9 | 2021 |
Water clusters as bifunctional catalysts in organic chemistry: the hydrolysis of oxirane and its methyl derivatives A Sauza-de la Vega, H Salazar-Lozas, WEV Narváez, ... Organic & Biomolecular Chemistry 19 (31), 6776-6780, 2021 | 9 | 2021 |
Towards an atomistic understanding of polymorphism in molecular solids A Sauza-de la Vega, LJ Duarte, AF Silva, JM Skelton, T Rocha-Rinza, ... Physical Chemistry Chemical Physics 24 (18), 11278-11294, 2022 | 5 | 2022 |
Computation of photovoltaic and stability properties of hybrid organic–inorganic perovskites via convolutional neural networks VA Aristizabal-Ferreira, JM Guevara-Vela, A Sauza-de la Vega, ... Theoretical Chemistry Accounts 141 (4), 19, 2022 | 4 | 2022 |
Wave function analyses of scandium-doped aluminium clusters, AlnSc (n= 1–24), and their CO 2 fixation abilities JM Guevara-Vela, A Sauza-de la Vega, M Gallegos, ÁM Pendás, ... Physical Chemistry Chemical Physics 25 (28), 18854-18865, 2023 | 3 | 2023 |