Two-electron integrations in the Quantum Theory of Atoms in Molecules with correlated wave functions. - Ángel Martín Pendás; Evelio Francisco; M. A. Blanco (J. Comput. Chem., 2005)

Chemical fragments in real space: Definitions, properties, and energetic decompositions. - Ángel Martín Pendás; M. A. Blanco; Evelio Francisco (J. Comput. Chem., 2007)

EDF: Computing electron number probability distribution functions in real space from molecular wave functions. - Evelio Francisco; Ángel Martín Pendás; M. A. Blanco (Comput. Phys. Commun., 2008)

Critic: a new program for the topological analysis of solid-state electron densities. - Alberto Otero-de-la-Roza; M. A. Blanco; Ángel Martín Pendás; Víctor Luaña (Comput. Phys. Commun., 2009)

Steric repulsions, rotation barriers, and stereoelectronic effects: A real space perspective. - Ángel Martín Pendás; M. A. Blanco; Evelio Francisco (J. Comput. Chem., 2009)

Electron number distribution functions from molecular wavefunctions. Version 2. - Evelio Francisco; Ángel Martín Pendás (Comput. Phys. Commun., 2014)

One-electron images in real space: Natural adaptive orbitals. - Marcos Menéndez; Roberto Álvarez Boto; Evelio Francisco; Ángel Martín Pendás (J. Comput. Chem., 2015)

Electron correlation in the interacting quantum atoms partition via coupled-cluster lagrangian densities. - Fernando José Holguín-Gallego; Rodrigo Chávez-Calvillo; Marco García-Revilla; Evelio Francisco; Ángel Martín Pendás; Tomás Rocha-Rinza (J. Comput. Chem., 2016)

A multipolar approach to the interatomic covalent interaction energy. - Evelio Francisco; Daniel Menéndez Crespo; Aurora Costales; Ángel Martín Pendás (J. Comput. Chem., 2017)

Chemical bonding in excited states: Energy transfer and charge redistribution from a real space perspective. - Jesús Jara-Cortés; José Manuel Guevara-Vela; Ángel Martín Pendás; Jesús Hernández-Trujillo (J. Comput. Chem., 2017)

Nine questions on energy decomposition analysis. - Juan Andrés; Paul W. Ayers; Roberto Álvarez Boto; Ramon Carbó-Dorca; Henry Chermette; Jerzy Cioslowski; Julia Contreras-Garcia; David L. Cooper; Gernot Frenking; Carlo Gatti; Farnaz Heidar-Zadeh; Laurent Joubert; et al. (J. Comput. Chem., 2019)

Efficient implementation of the interacting quantum atoms energy partition of the second-order Møller-Plesset energy. - José Luis Casals-Sainz; José Manuel Guevara-Vela; Evelio Francisco; Tomás Rocha-Rinza; Ángel Martín Pendás (J. Comput. Chem., 2020)

On the strength of hydrogen bonding within water clusters on the coordination limit. - Víctor Manuel Castor-Villegas; José Manuel Guevara-Vela; Wilmer E. Vallejo Narváez; Ángel Martín Pendás; Tomás Rocha-Rinza; Alberto Fernández-Alarcón (J. Comput. Chem., 2020)

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)

QM/MM Energy Decomposition Using the Interacting Quantum Atoms Approach. - Roberto López; Natalia Díaz; Evelio Francisco; Ángel Martín Pendás; Dimas Suárez (J. Chem. Inf. Model., 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)