Electron localization function comparative study of ground state, triplet state, radical anion, and cation in model carbonyl and imine compounds. - Isabelle Fourré; Bernard Silvi; Patrick Chaquin; Alain Sevin (J. Comput. Chem., 1999)

Orbital energies and nuclear forces in DFT: Interpretation and validation. - Rubén Laplaza; Carlos Cárdenas; Patrick Chaquin; Julia Contreras-Garcia; Paul W. Ayers (J. Comput. Chem., 2021)

How the addition of atomic hydrogen to a multiple bond can be catalyzed by water molecules. - Patrick Chaquin; Franck Fuster; Alexis Markovits (J. Comput. Chem., 2024)