| Ethanol and water adsorption on close-packed 3d, 4d, and 5d transition-metal surfaces: a density functional theory investigation with van der Waals correction P Tereshchuk, JLF Da Silva The Journal of Physical Chemistry C 116 (46), 24695-24705, 2012 | 140 | 2012 |
| 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 | 109 | 2016 |
| Comparative study of van der Waals corrections to the bulk properties of graphite CRC Rêgo, LN Oliveira, P Tereshchuk, JLF Da Silva Journal of Physics: Condensed Matter 27 (41), 415502, 2015 | 86 | 2015 |
| Graphene-supported small transition-metal clusters: A density functional theory investigation within van der Waals corrections CRC Rêgo, P Tereshchuk, LN Oliveira, JLF Da Silva Physical Review B 95 (23), 235422, 2017 | 69 | 2017 |
| Establishing a link between well-ordered Pt (100) surfaces and real systems: how do random superficial defects influence the electro-oxidation of glycerol? PS Fernández, J Fernandes Gomes, CA Angelucci, P Tereshchuk, ... ACS Catalysis 5 (7), 4227-4236, 2015 | 65 | 2015 |
| Ethanol and water adsorption on transition-metal 13-atom clusters: A density functional theory investigation within van der Waals corrections L Zibordi-Besse, P Tereshchuk, AS Chaves, JLF Da Silva The Journal of Physical Chemistry A 120 (24), 4231-4240, 2016 | 60 | 2016 |
| How do random superficial defects influence the electro-oxidation of glycerol on Pt (111) surfaces? PS Fernández, P Tereshchuk, CA Angelucci, JF Gomes, AC Garcia, ... Physical Chemistry Chemical Physics 18 (36), 25582-25591, 2016 | 49 | 2016 |
| Glycerol adsorption on platinum surfaces: a density functional theory investigation with van der Waals corrections P Tereshchuk, AS Chaves, JLF Da Silva The Journal of Physical Chemistry C 118 (28), 15251-15259, 2014 | 49 | 2014 |
| The role of charge transfer in the oxidation state change of Ce atoms in the TM 13–CeO 2 (111) systems (TM= Pd, Ag, Pt, Au): a DFT+ U investigation P Tereshchuk, RLH Freire, CG Ungureanu, Y Seminovski, A Kiejna, ... Physical Chemistry Chemical Physics 17 (20), 13520-13530, 2015 | 48 | 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 | 46 | 2014 |
| Encapsulation of small magnetic clusters in fullerene cages: a density functional theory investigation within van der Waals corrections P Tereshchuk, JLF Da Silva Physical Review B—Condensed Matter and Materials Physics 85 (19), 195461, 2012 | 40 | 2012 |
| Density functional investigation of the adsorption of ethanol–water mixture on the Pt (111) surface P Tereshchuk, JLF Da Silva The Journal of Physical Chemistry C 117 (33), 16942-16952, 2013 | 36 | 2013 |
| Nonconventional tight-binding method for the calculation of the total energy and spectroscopic energies of atomic clusters: Transferable parameters for silicon ZM Khakimov, PL Tereshchuk, NT Sulaymanov, FT Umarova, MT Swihart Physical Review B—Condensed Matter and Materials Physics 72 (11), 115335, 2005 | 36 | 2005 |
| The role of the CO adsorption on Pt monolayers supported on flat and stepped Au surfaces: a density functional investigation P Tereshchuk, RLH Freire, JLF Da Silva RSC Advances 4 (18), 9247-9254, 2014 | 20 | 2014 |
| The Role of Low-Coordinated Sites on the Adsorption of Glycerol on Defected Ptn/Pt(111) Substrates: A Density Functional Investigation within the D3 van der … RC Amaral, P Tereshchuk, Y Seminovski, JLF Da Silva The Journal of Physical Chemistry C 121 (6), 3445-3454, 2017 | 17 | 2017 |
| Atomic structure of the La/Pt (111) and Ce/Pt (111) surfaces revealed by DFT+ U calculations P Tereshchuk, MJ Piotrowski, JLF Da Silva RSC Advances 5 (1), 521-528, 2015 | 17 | 2015 |
| Adsorption of Li2O2, Na2O2, and NaO2 on TiC(111) Surface for Metal–Air Rechargeable Batteries: A Theoretical Study K Raz, P Tereshchuk, D Golodnitsky, A Natan The Journal of Physical Chemistry C 122 (29), 16473-16480, 2018 | 16 | 2018 |
| Energetic and magnetic properties of chitosan with embedded Co clusters PL Tereshchuk Computational Materials Science 50 (3), 991-997, 2011 | 16 | 2011 |
| Energetically competitive growth patterns of silicon clusters: Quasi-one-dimensional clusters versus diamond-like clusters PL Tereshchuk, ZM Khakimov, FT Umarova, MT Swihart Physical Review B—Condensed Matter and Materials Physics 76 (12), 125418, 2007 | 16 | 2007 |
