| The influence of Ni additions on the relative stability of and U Schwingenschlögl, C Di Paola, K Nogita, CM Gourlay Applied Physics Letters 96 (6), 061908, 2010 | 70 | 2010 |
| Role of Boson-Fermion Statistics on the Raman Spectra of in Helium Clusters D López-Durán, MP de Lara-Castells, G Delgado-Barrio, P Villarreal, ... Physical review letters 93 (5), 053401, 2004 | 67 | 2004 |
| Enhanced thermoelectric performance of Sn-doped Cu 3 SbS 4 K Chen, C Di Paola, B Du, R Zhang, S Laricchia, N Bonini, C Weber, ... Journal of Materials Chemistry C 6 (31), 8546-8552, 2018 | 65 | 2018 |
| Energies and density distributions of clusters doped with : A Hartree-like approach MP de Lara-Castells, D López-Durán, G Delgado-Barrio, P Villarreal, ... Physical Review A 71 (3), 033203, 2005 | 51 | 2005 |
| Oxygen adsorption on small PtNi nanoalloys C di Paola, F Baletto Physical Chemistry Chemical Physics 13 (17), 7701-7707, 2011 | 49 | 2011 |
| Geometrical effects on the magnetic properties of nanoparticles C Di Paola, R D’Agosta, F Baletto Nano letters 16 (4), 2885-2889, 2016 | 48 | 2016 |
| Quantum Computational Quantification of Protein-Ligand Interactions JJM Kirsopp, C Di Paola, DZ Manrique, M Krompiec, G Greene-Diniz, ... arXiv preprint arXiv:2110.08163, 2021 | 40 | 2021 |
| Microsolvation of Li+ in Small He Clusters. Li+Hen Species from Classical and Quantum Calculations C Di Paola, F Sebastianelli, E Bodo, I Baccarelli, FA Gianturco, ... Journal of chemical theory and computation 1 (5), 1045-1054, 2005 | 39 | 2005 |
| Latest Advances in Atomic Clusters Collisions: Fission, Fusion, Electron, Ion and Photon Impact JP Connerade, A Solov'yov World Scientific, 2004 | 39 | 2004 |
| Raman spectra of clusters: The role of boson/fermion statistics in a quantum solvent D López-Durán, MP de Lara-Castells, G Delgado-Barrio, P Villarreal, ... The Journal of chemical physics 121 (7), 2975-2984, 2004 | 35 | 2004 |
| Ground states of weakly bound three-atom systems: energies and shapes of 4He2X clusters from Monte Carlo calculations C Di Paola, FA Gianturco, F Paesani, G Delgado-Barrio, S Miret-Artés, ... Journal of Physics B: Atomic, Molecular and Optical Physics 35 (12), 2643, 2002 | 28 | 2002 |
| Ground states of weakly bound three-atom systems: energies and shapes of 4He2X clusters from Monte Carlo calculations C Di Paola, FA Gianturco, F Paesani, G Delgado-Barrio, S Miret-Artés, ... Journal of Physics B: Atomic, Molecular and Optical Physics 35 (12), 2643, 2002 | 28 | 2002 |
| A novel structural motif for free CoPt nanoalloys I Parsina, C DiPaola, F Baletto Nanoscale 4 (4), 1160-1166, 2012 | 27 | 2012 |
| Microsolvation of Li+ in bosonic helium clusters. I. Many-body effects on the structures of the small aggregates F Sebastianelli, E Bodo, I Baccarelli, C Di Paola, FA Gianturco, ... Computational materials science 35 (3), 261-267, 2006 | 27 | 2006 |
| Br2 (X) microsolvation in helium clusters: Effect of the interaction on the quantum solvent density distribution C Di Paola, FA Gianturco, D López‐Durán, MP de Lara‐Castells, ... ChemPhysChem 6 (7), 1348-1356, 2005 | 23 | 2005 |
| Quantum and classical structures for clusters with the impurity F Sebastianelli, C Di Paola, I Baccarelli, FA Gianturco The Journal of chemical physics 119 (16), 8276-8288, 2003 | 22 | 2003 |
| Structural and quantum effects from anionic centers in rare gas clusters: The and systems F Sebastianelli, I Baccarelli, C Di Paola, FA Gianturco The Journal of chemical physics 119 (11), 5570-5582, 2003 | 21 | 2003 |
| Sampling the energy landscape of Pt 13 with metadynamics L Pavan, C Di Paola, F Baletto The European Physical Journal D 67 (2), 1-8, 2013 | 20 | 2013 |
| Structural and electronic evolution in the Cu 3 SbS 4–Cu 3 SnS 4 solid solution K Chen, C Di Paola, S Laricchia, MJ Reece, C Weber, E McCabe, ... Journal of Materials Chemistry C 8 (33), 11508-11516, 2020 | 18 | 2020 |
| Partitioning scheme for density functional calculations of extended systems J He, C Di Paola, L Kantorovich The Journal of Chemical Physics 130, 144104, 2009 | 18 | 2009 |
