Conformational analysis of model compounds of vitamin D by theoretical calculations. - Emilio Martínez-Núñez; Saulo A. Vázquez; Ricardo A. Mosquera (J. Comput. Chem., 1997)

Atomic and bond properties in functionalized esters and amides. - Ana M. Graña; Ricardo A. Mosquera (J. Comput. Chem., 1999)

A box-counting-based algorithm for computing Shannon entropy in molecular dynamics simulations. - Luis Lorenzo; Ricardo A. Mosquera (J. Comput. Chem., 2003)

Do the Neighboring Residues in a Polypeptide Affect the Electron Distribution of an Amino Acid Significantly? A Quantitative Study Using the Quantum Theory of Atoms in Molecules (QTAIM). - Luis Lorenzo; María J. González-Moa; Marcos Mandado; Ricardo A. Mosquera (J. Chem. Inf. Model., 2006)

QTAIM n-center delocalization indices as descriptors of aromaticity in mono and poly heterocycles. - Marcos Mandado; María J. González-Moa; Ricardo A. Mosquera (J. Comput. Chem., 2007)

Chemical graph theory and n-center electron delocalization indices: A study on polycyclic aromatic hydrocarbons. - Marcos Mandado; María J. González-Moa; Ricardo A. Mosquera (J. Comput. Chem., 2007)

Atoms in molecules interpretation of the anomeric effect in the O-C-O unit. - Antonio Vila; Ricardo A. Mosquera (J. Comput. Chem., 2007)

A QTAIM-based energy partitioning for understanding the physical origin of conformational preferences: Application to the Z effect in O=C-X-R and related units. - David Ferro-Costas; Nicolás Otero; Ana M. Graña; Ricardo A. Mosquera (J. Comput. Chem., 2012)

Electronegativity estimator built on QTAIM-based domains of the bond electron density. - David Ferro-Costas; Ignacio Pérez-Juste; Ricardo A. Mosquera (J. Comput. Chem., 2014)

Chiroptical Symmetry Analysis of Trianglimines: A Case Study. - Ani Ozcelik; Raquel Pereira-Cameselle; Ricardo A. Mosquera; Ángeles Peña-Gallego; J. Lorenzo Alonso-Gómez (Symmetry, 2019)