The influence of Ni additions on the relative stability of U Schwingenschlögl, C Di Paola, K Nogita, CM Gourlay
Applied Physics Letters 96 (6), 061908, 2010
69 2010 Role of Boson-Fermion Statistics on the Raman Spectra of 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 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 Latest Advances in Atomic Clusters Collisions: Fission, Fusion, Electron, Ion and Photon Impact JP Connerade, A Solov'yov
World Scientific, 2004
39 2004 Microsolvation of Li+ in Small He Clusters. Li+ Hen C Di Paola, F Sebastianelli, E Bodo, I Baccarelli, FA Gianturco, ...
Journal of chemical theory and computation 1 (5), 1045-1054, 2005
38 2005 Raman spectra of 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
26 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 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 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 