• A. O. Mitrushchenkov, A. Zanchet, A. W. Hauser*, M. P. de Lara-Castells,* Nonadiabatic Effects in the Molecular Oxidation of Subnanometric Cu₅ Clusters, Journal of Physical Chemistry A 125 (2021) 9143-9150. DOI: 10.1021/acs.jpca.1c07271

• A. O. Mitrushchenkov*, M. P. de Lara-Castells,* Mini Review: Quantum Confinement of Atomic and Molecular Clusters in Carbon Nanotubes, Frontiers in Chemistry 9 (2021) 9:796890. DOI: 10.3389/fchem.2021.796890

• A. Castillo-García, A. W. Hauser, M. P. de Lara-Castells,* P. Villarreal*, A Path Integral Molecular Dynamics Simulation of a Harpoon-Type Redox Reaction in a Helium Nanodroplet, Molecules 26 (2021) 5383. DOI: 10.3390/molecules26195783

• Feature Article (invited): M. P. de Lara.Castells,* First-principles modelling of the new generation of subnanometric metal clusters: Recent case studies, Journal of Colloid and Interface Science 612 (2022) 737-759. DOI: 10.1016/j.jcis.2021.12.186

“Inside Back Cover”. DOI: 10.1016/S0021-9797(22)00227-2

• Feature Article: M. P. de Lara-Castells,* S. Miret-Artés, A subnanometric material reveals new quantum-chemical insights into surface polarons, Europhysics News 53 (2022) 7-9. DOI: 10.1051/epn/2022401

• J. Garrido-Aldea, M. P. de Lara-Castells,* Aggregation and support effects in the oxidation of fluxional atomic metal clusters. The paradigmatic Cu₅ case, Physical Chemistry Chemical Physics 24 (2022) 24810-24822. DOI: 10.1039/D2CP02169B

• B. Fernández,* M. P. de Lara-Castells,* Meta-stability through intermolecular interactions protecting the identity of atomic metal clusters: ab initio evidences in (Cu₅–Cu₅)_n (n < 3) cases. Physical Chemistry Chemical Physics 24 (2022) 26992-26997. DOI: 10.1039/D2CP03537E

Article from the Physical Chemistry Chemical Physics (PCCP) collection led by the PI of the project “Stability and properties of new-generation metal and metal-oxide clusters down to subnanometer scale” and selected as “2022 PCCP HOT Article”.

• Lenard L. Carroll, L. V. Moskaleva,* M. P. de Lara-Castells,* Carbon vacancy-assisted stabilization of individual Cu5 clusters on graphene. Insights from ab initio molecular dynamics. Physical Chemistry Chemical Physics 25 (2023) 15729-15743 DOI: 10.1039/D2DP05843J

Article from the Physical Chemistry Chemical Physics (PCCP) collection led by the PI of the project.

• M. P. de Lara-Castells,* C. Puzzarini,* V. Bonačić-Koutecký, M. A. López-Quintela, S. Vajda. Stability and properties of new-generation metal and metal-oxide clusters down to subnanometer scale, Physical Chemistry Chemical Physics 25 (2023) 15081-15084. DOI: 10.1039/D2CP02169B

Editorial of the Physical Chemistry Chemical Physics (PCCP) collection led by the PI of the project.

• B. Fernández, M. Pi, M. P. de Lara-Castells,* Superfluid helium droplet-mediated surface-deposition of neutral and charged silver atomic species, Physical Chemistry Chemical Physics (Communication) 25 (2023) 16699-16706. DOI: 10.1039/D3CP01303K

Article published in the prestigious «Communication» section of the journal.

• M. P. de Lara-Castells,* F. G. Requejo, M. A. López-Quintela & co-workers, Stability and Reversible Oxidation of Sub-Nanometric Cu₅ Metal Clusters: Integrated Experimental Study and Theoretical Modeling. Chemistry A European Journal 29 (2023) e202301517. DOI: 10.1002/chem.202301517

“Cover Feature”: DOI: 10.1002/chem.202302209

 

• A. O. Mitrushchenkov, M. P. de Lara-Castells,* High-level ab initio evidence of bipyramidal Cu₅ clusters as fluxional Jahn-Teller molecules. ChemPhysChem (2023) e202300317. DOI: 10.1002/cphc.202300317

“Front Cover”: DOI: 10.1002/chem.202300638

 This article also appears in «Editors’ Choice: Spotlights» and «Society Volumes: Spain».

• A. O. Mitrushchenkov, M. P. de Lara-Castells,* Cover Profile: High-level ab initio evidence of bipyramidal Cu₅ clusters as fluxional Jahn-Teller molecules. ChemPhysChem (2023) e202300637. DOI: 10.1002/cphc.202300637
• M. P. de Lara-Castells,* An Ab Initio Journey toward the Molecular‐Level Understanding and Predictability of Subnanometric Metal Clusters. Small Structures (2024).  DOI: 10.1002/sstr.202400147.

“Inside Back Cover”: DOI: 10.1002/sstr.202470048

• K. M. Krupka, A. Krzemińska, M. P. de Lara-Castells,* A Practical Post-Hartree-Fock Approach Describing Open-Shell Metal Cluster-Support Interactions. Application to Cu₃ Adsorption on Benzene/Coronene. RSC Advances 14 (2024) 31348–31359. DOI: 10.1039/d4ra05401f

• K. M. Krupka, M. P. de Lara-Castells,* Support Effects on Conical Intersections of Jahn–Teller Fluxional Metal Clusters on the Sub-Nanoscale. Physical Chemistry Chemical Physics 26 (2024) 28349–28360. DOI: 10.1039/d4cp03271c

“Inside Front Cover”: DOI: 10.1039/d4cp90200a

• K. M. Krupka, L. L. Carroll, M. P. de Lara-Castells,* Functionalization of zeolite-encapsulated Cu₅ clusters as visible-light photoactive sub-nanomaterials.RSC Advances 14 (2024) 31348–31359. DOI: 10.1039/D4RA08633C