| Challenging the electrostatic σ‐hole picture of halogen bonding using minimal models and the interacting quantum atoms approach F Jiménez‐Grávalos, M Gallegos, A Martin Pendas, AS Novikov Journal of Computational Chemistry 42 (10), 676-687, 2021 | 26 | 2021 |
| Energetic descriptors of steric hindrance in real space: an improved IQA picture M Gallegos, A Costales, AM Pendas ChemPhysChem 22 (8), 775-787, 2021 | 19 | 2021 |
| Copper-Catalyzed Azide–Alkyne Cycloaddition (CuAAC) by Functionalized NHC-Based Polynuclear Catalysts: Scope and Mechanistic Insights M González-Lainez, M Gallegos, J Munarriz, R Azpiroz, V Passarelli, ... Organometallics 41 (15), 2154-2169, 2022 | 18 | 2022 |
| On the relationship between hydrogen bond strength and the formation energy in resonance-assisted hydrogen bonds JM Guevara-Vela, M Gallegos, MA Valentín-Rodríguez, A Costales, ... Molecules 26 (14), 4196, 2021 | 18 | 2021 |
| Does steric hindrance actually govern the competition between bimolecular substitution and elimination reactions? M Gallegos, A Costales, Á Martín Pendás The Journal of Physical Chemistry A 126 (11), 1871-1880, 2022 | 7 | 2022 |
| NNAIMQ: A neural network model for predicting QTAIM charges M Gallegos, JM Guevara-Vela, ÁM Pendás The Journal of Chemical Physics 156 (1), 2022 | 7 | 2022 |
| Mimicking Enzymes: Asymmetric Induction inside a Carbamate–Based Steroidal Cleft C Concellón, J Martín, M Gallegos, N Fanjul-Mosteirín, A Costales, ... Organic letters 21 (11), 3994-3997, 2019 | 6 | 2019 |
| A QCT view of the interplay between hydrogen bonds and aromaticity in small CHON derivatives M Gallegos, D Barrena-Espés, JM Guevara-Vela, T Rocha-Rinza, ... Molecules 27 (18), 6039, 2022 | 5 | 2022 |
| New venues in electron density analysis B Landeros-Rivera, M Gallegos, J Munárriz, R Laplaza, ... Physical Chemistry Chemical Physics 24 (36), 21538-21548, 2022 | 5 | 2022 |
| A real space picture of the role of steric effects in SN2 reactions M Gallegos, A Costales, A Martin Pendas Journal of computational chemistry 43 (11), 785-795, 2022 | 4 | 2022 |
| Energetics of Electron Pairs in Electrophilic Aromatic Substitutions J Munárriz, M Gallegos, J Contreras-Garcia, A Martin Pendas Molecules 26 (2), 513, 2021 | 4 | 2021 |
| 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 | 2 | 2023 |
| New developments in the Interacting Quantum Atoms (IQA) approach M Gallegos, E Francisco, ÁM Pendás Chemical Reactivity, 83-112, 2023 | 2 | 2023 |
| Calculation of the ELF in the excited state with single-determinant methods A Echeverri, M Gallegos, T Gómez, ÁM Pendás, C Cárdenas The Journal of Chemical Physics 158 (17), 2023 | 1 | 2023 |
| An Unsupervised Machine Learning Approach for the Automatic Construction of Local Chemical Descriptors M Gallegos, BK Isamura, PLA Popelier, A Martín Pendás Journal of Chemical Information and Modeling, 2024 | | 2024 |
| Radical revelations: the pnictogen effect in linear acetylenes M Gallegos, V Del Amo, JM Guevara-Vela, G Moreno-Alcántar, ... Physical Chemistry Chemical Physics, 2024 | | 2024 |
| Developing a User-Friendly Code for the Fast Estimation of Well-Behaved Real-Space Partial Charges M Gallegos, A Martín Pendás Journal of Chemical Information and Modeling 63 (13), 4100-4114, 2023 | | 2023 |
| Supporting Information: Copper-catalyzed azide-alkyne cycloaddition (CuAAC) by functionalized NHC-based polynuclear catalysts: Scope and mechanistic insights M González-Lainez, M Gallegos, J Munárriz, R Azpíroz, V Passarelli, ... American Chemical Society, 2022 | | 2022 |
| rsc. li/pccp Y Ni, C Kan, J Xu, B Landeros-Rivera, M Gallegos, J Munárriz, R Laplaza, ... Phys. Chem. Chem. Phys 24, 21601, 2022 | | 2022 |
| On the impact of a phosphoryl group in the recognition capabilities of 2-aminopyridines toward carboxylic acids M Gallegos, S Gil-Guerrero, A Fernández-Alarcón, D Bouzas-Ramos, ... Theoretical Chemistry Accounts 138, 1-9, 2019 | | 2019 |
