Challenging the electrostatic σ-hole picture of halogen bonding using minimal models and the interacting quantum atoms approach. - Fernando Jiménez-Grávalos; Miguel Gallegos; Ángel Martín Pendás; Alexander S. Novikov 002 (J. Comput. Chem., 2021)

A real space picture of the role of steric effects in SN2 reactions. - Miguel Gallegos; Aurora Costales; Ángel Martín Pendás (J. Comput. Chem., 2022)

Developing a User-Friendly Code for the Fast Estimation of Well-Behaved Real-Space Partial Charges. - Miguel Gallegos; Ángel Martín Pendás (J. Chem. Inf. Model., 2023)

An Unsupervised Machine Learning Approach for the Automatic Construction of Local Chemical Descriptors. - Miguel Gallegos; Bienfait Kabuyaya Isamura; Paul L. A. Popelier; Ángel Martín Pendás (J. Chem. Inf. Model., 2024)