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)

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)

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)

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)