| Density functional theory investigation of , , and 13-atom metal clusters MJ Piotrowski, P Piquini, JLF Da Silva Physical Review B—Condensed Matter and Materials Physics 81 (15), 155446, 2010 | 273 | 2010 |
| Evolution of the structural, energetic, and electronic properties of the 3d, 4d, and 5d transition-metal clusters (30 TM n systems for n= 2–15): a density functional theory … AS Chaves, MJ Piotrowski, JLF Da Silva Physical chemistry chemical physics 19 (23), 15484-15502, 2017 | 212 | 2017 |
| The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation AS Chaves, GG Rondina, MJ Piotrowski, P Tereshchuk, JLF Da Silva The Journal of Physical Chemistry A 118 (45), 10813-10821, 2014 | 134 | 2014 |
| Theoretical study of the structural, energetic, and electronic properties of 55-atom metal nanoclusters: A DFT investigation within van der Waals corrections, spin–orbit … MJ Piotrowski, CG Ungureanu, P Tereshchuk, KEA Batista, AS Chaves, ... The Journal of Physical Chemistry C 120 (50), 28844-28856, 2016 | 108 | 2016 |
| Structure, Electronic, and Magnetic Properties of Binary PtnTM55–n (TM = Fe, Co, Ni, Cu, Zn) Nanoclusters: A Density Functional Theory Investigation D Guedes-Sobrinho, RK Nomiyama, AS Chaves, MJ Piotrowski, ... The Journal of Physical Chemistry C 119 (27), 15669-15679, 2015 | 95 | 2015 |
| Platinum-Based Nanoalloys PtnTM55–n (TM = Co, Rh, Au): A Density Functional Theory Investigation MJ Piotrowski, P Piquini, JLF Da Silva The Journal of Physical Chemistry C 116 (34), 18432-18439, 2012 | 89 | 2012 |
| Reconstruction of core and surface nanoparticles: The example of and JLF Da Silva, HG Kim, MJ Piotrowski, MJ Prieto, G Tremiliosi-Filho Physical Review B—Condensed Matter and Materials Physics 82 (20), 205424, 2010 | 74 | 2010 |
| Structural and Electronic Properties of Bulk ZnX (X = O, S, Se, Te), ZnF2, and ZnO/ZnF2: A DFT Investigation within PBE, PBE + U, and Hybrid HSE Functionals EM Flores, ML Moreira, MJ Piotrowski The Journal of Physical Chemistry A 124 (19), 3778-3785, 2020 | 59 | 2020 |
| Hybrid density functional study of small Rh clusters JLF Da Silva, MJ Piotrowski, F Aguilera-Granja Physical Review B—Condensed Matter and Materials Physics 86 (12), 125430, 2012 | 57 | 2012 |
| The role of electron localization in the atomic structure of transition-metal 13-atom clusters: the example of Co 13, Rh 13, and Hf 13 MJ Piotrowski, P Piquini, L Candido, JLF Da Silva Physical Chemistry Chemical Physics 13 (38), 17242-17248, 2011 | 54 | 2011 |
| Structural formation of binary PtCu clusters: A density functional theory investigation AS Chaves, GG Rondina, MJ Piotrowski, JLF Da Silva Computational Materials Science 98, 278-286, 2015 | 52 | 2015 |
| Theoretical investigation of the adsorption properties of CO, NO, and OH on monometallic and bimetallic 13-atom clusters: the example of Cu13, Pt7Cu6, and Pt13 AS Chaves, MJ Piotrowski, D Guedes-Sobrinho, JLF Da Silva The Journal of Physical Chemistry A 119 (47), 11565-11573, 2015 | 49 | 2015 |
| Theoretical Investigation of Small Transition-Metal Clusters Supported on the CeO2(111) Surface MJ Piotrowski, P Tereshchuk, JLF Da Silva The Journal of Physical Chemistry C 118 (37), 21438-21446, 2014 | 48 | 2014 |
| Adsorption of NO on the Rh13, Pd13, Ir13, and Pt13 Clusters: A Density Functional Theory Investigation MJ Piotrowski, P Piquini, Z Zeng, JLF Da Silva The Journal of Physical Chemistry C 116 (38), 20540-20549, 2012 | 43 | 2012 |
| Bulk structures of PtO and PtO from density functional calculations RK Nomiyama, MJ Piotrowski, JLF Da Silva Physical Review B—Condensed Matter and Materials Physics 84 (10), 100101, 2011 | 43 | 2011 |
| CO, NO, and SO adsorption on Ni nanoclusters: a DFT investigation RV de Amorim, KEA Batista, GR Nagurniak, RP Orenha, RLT Parreira, ... Dalton Transactions 49 (19), 6407-6417, 2020 | 42 | 2020 |
| Role of van der Waals corrections for the Pt (, S, Se) compounds MJ Piotrowski, RK Nomiyama, JLF Da Silva Physical Review B—Condensed Matter and Materials Physics 88 (7), 075421, 2013 | 35 | 2013 |
| Transition-metal 13-atom clusters assessed with solid and surface-biased functionals MJ Piotrowski, P Piquini, MM Odashima, JLF Da Silva The Journal of chemical physics 134 (13), 2011 | 35 | 2011 |
| Ab Initio Insights into the Formation Mechanisms of 55-Atom Pt-Based Core–Shell Nanoalloys PCD Mendes, SG Justo, J Mucelini, MD Soares, KEA Batista, MG Quiles, ... The Journal of Physical Chemistry C 124 (1), 1158-1164, 2019 | 32 | 2019 |
| Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters KEA Batista, VK Ocampo-Restrepo, MD Soares, MG Quiles, MJ Piotrowski, ... Journal of chemical information and modeling 60 (2), 537-545, 2020 | 30 | 2020 |
Juarez L. F. Da SilvaUniversity of São Paulo (USP), São Carlos Institute of Chemistry (IQSC), São Carlos, SP, BrazilVerified email at iqsc.usp.br
