- "Oxygen reduction reaction (orr) on bimetallic AuPt and AuPd(100)-electrodes: Effects of the heteroatomic junction on the reaction paths" E. Schulte, G. Belletti, M. Arce and P. Quaino. Appl. Surf. Sci., 441 (2018) 663.

- "Induced electronic changes at the fluorinated polyphenylthiols on nanostructured Au(111) interfaces" E. Colombo, G. Belletti, F. Tielens and P. Quaino. Appl. Surf. Sci., 452 (2018) 141.

- "Defying Coulomb’s law: A lattice-induced attraction between lithium ion" F. Juarez, F. Dominguez-Flores, A. Goduljan, L. Mohammadzadeh, P. Quaino, E. Santos, W. Schmickler. Carbon, 139 (2018) 808.

- "Structure and Vibrational Properties of Potassium-Promoted Tungsten Oxide Catalyst Monomeric Sites Supported on Alumina (K2O/WO3/Al2O3) Characterized Using Periodic Density Functional Theory" D. Kiani, G. Belletti, P. Quaino, F. Tielens, and J. Baltrusaitis. J. Phys. Chem. C, 122 (2018) 24190.

- "Vibrational Signatures of Calcium Oxalate Polyhydrates" I. Petit, G. Belletti, T. Debroise, M. J. Llansola-Portoles, I. T. Lucas, C. Leroy, C. Bonhomme, L. Bonhomme-Coury, D. Bazin, M. Daudon, E. Letavernier, J. P. Haymann, V.Frochot, F. Babonneau, P. Quaino and F. Tielens. ChemistrySelect, 3 (2018) 8801.

- "The initial stage of OH adsorption on Ni(111)" F. Juarez, D. Salmazo, E.R. Savinova, P. Quaino, G. Belletti, E. Santos, W. Schmickler. Journal of Electroanalytical Chemistry 832 (2019) 137.

- "Why are trace amounts of chloride so highly surface-active?" F. Juarez, P. Quaino, E. Colombo, E. Santos, M. N. Jackson, W. Schmickler. Journal of Electroanalytical Chemistry, 847 (2019) 113128.

- "Development of force fields for binary systems: Application to a dimethylsulfoxide (DMSO) – Oxygen mixture" G.D. Belletti, E. Schulte, E. Colombo, W. Schmickler, P. Quaino. Chemical Physics Letters 735 (2019) 136778.

- "Hydrogen Oxidation in Alkaline Media: the Bifunctional Mechanism for Water Formation" F. Juarez, D. Salmazo, P. Quaino, W. Schmickler. Electrocatalysis 10 (2019) 584.

- "Theoretical and FTIR Investigations of the Acetonitrile Hydrogenation Pathways on Platinum" L. Vogt, E. Schulte, S. Collins, P. Quaino. Topics in Catalysis 72 (2019) 1076.

- "Interactions of ions across carbon nanotubes" F. Juarez, F. Dominguez Flores, P. Quaino, E. Santos and W. Schmickler. Physical Chemistry Chemical. Physics, 22 (2020) 10603.

- "One Step Further in the Elucidation of the Crystallographic Structure of Whitlockite" T. Debroise, E. Colombo, G. Belletti, J. Vekeman, Y. Su, R. Papoular, N.S. Hwang, D.Bazin, M. Daudon, P. Quaino and F. Tielens. Cryst. Growth Des., 20:4 (2020) 2553.

- "Reactivity of bimetallic nanostructured electrocatalysts for the hydrogen adsorption. An atomistic view" E. Schulte, E. Santos, P. Quaino. Surface Science, 697 (2020) 121605.

- "A model for the effect of ion pairing on an outer sphere electron transfer" R. Nazmutdinov, P. Quaino, E. Colombo, E. Santos, W. Schmickler. Physical Chemistry Chemical Physics, 22 (2020) 13923.

- "On the first step in zinc deposition – A case of nonlinear coupling with the solvent" P. Quaino, E. Colombo, F. Juarez, E. Santos, G. Belletti, A. Gross, W. Schmickler. Electrochemistry Communications, 122 (2021) 106876.

- "Copper Deposition from Chloride-Containing Aqueous Solutions: Catalysis and the Role of the Water Structure" E. Colombo, G. Belletti, S. Fonseca, L. M. C. Pinto, M. F. Juarez, R. Nazmutdinov, E. Santos, W. Schmickler, P. Quaino. J. Phys. Chem. C, 125 (2021) 1811.

- "The approach of alkali ions towards an electrode surface – A molecular dynamics study" W. Schmickler, G. Belletti, P. Quaino. Chemical Physics Letters 795 (2022)  139518.

- "Structure-Reactivity Relationship of Ptn (n = 1,3,7) Nanoparticles Supported on (5,5) CNT: An Ab Initio Study" J. L. Nuñez, G. D. Belletti, F. Tielens, P. Quaino. Topics in Catalysis, https://doi.org/10.1007/s11244-022 (2022).

- "Crystalline structures of l-cysteine and l-cystine: a combined theoretical and experimental characterization" Y. Su, E. P. Hessou, E. Colombo, G. Belletti, A. Moussadik, I. Lucas, V. Frochot, M. Daudon, S. Rouziere, D. Bazin, K. Li, P. Quaino, F. Tielens. Amino Acids, https://doi.org/10.1007/s00726-022-03144-6 (2022)

- "Mechanistic Investigation of Methanol Oxidation on Au/TiO2 : A Combined DRIFT and DFT Study" G. D. Belletti, E. Colombo, N. Cabana, P. Quaino, S. Collins. Topics in Catalysis, https://doi.org/10.1007/s11244-022-01620-7 (2022).

- "Toluene Adsorption on CeO2(111) Studied by FTIR and DFT" L. Heredia, E. Colombo, P. Quaino, S. Collins. Topics in Catalysis, https://doi.org/10.1007/s11244-022-01625-2 (2022).