| 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 | 52 | 2016 |
| Physical and Chemical Properties of Unsupported (MO2)n Clusters for M = Ti, Zr, or Ce and n = 1–15: A Density Functional Theory Study Combined with the Tree … L Zibordi-Besse, Y Seminovski, I Rosalino, D Guedes-Sobrinho, ... The Journal of Physical Chemistry C 122 (48), 27702-27712, 2018 | 43 | 2018 |
| Ab initio investigation of the atomistic descriptors in the activation of small molecules on 3d transition-metal 13-atom clusters: The example of H2, CO, H2O, and CO2 VK Ocampo-Restrepo, L Zibordi-Besse, JLF Da Silva The Journal of Chemical Physics 151 (21), 2019 | 30 | 2019 |
| Ab initio insights into the structural, energetic, electronic, and stability properties of mixed Ce n Zr 15− n O 30 nanoclusters P Felício-Sousa, J Mucelini, L Zibordi-Besse, KF Andriani, Y Seminovski, ... Physical Chemistry Chemical Physics 21 (48), 26637-26646, 2019 | 9 | 2019 |
| Polyhydroxamicalkanoate as a bioinspired acetylcholinesterase-based catalyst for acetylthiocholine hydrolysis and organophosphorus dephosphorylation: experimental studies and … LF Sgobbi, L Zibordi-Besse, BVM Rodrigues, CA Razzino, JLF Da Silva, ... Catalysis Science & Technology 7 (15), 3388-3398, 2017 | 5 | 2017 |
| Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO 2 nanoclusters L Zibordi-Besse, LG Verga, VK Ocampo-Restrepo, JLF Da Silva Physical Chemistry Chemical Physics 22 (15), 8067-8076, 2020 | 3 | 2020 |
| Ab initio investigation of nano-interfaces formed by Fe n and (ZrO 2) 13 nanoclusters L Zibordi-Besse, JLF Silva Livro de Resumos, 2019 | | 2019 |
| Supporting Information: Ab Initio Investigation of the Atomistic Descriptors in the Activation of Small Molecules on 3d Transition-Metal 13-Atom Clusters: The Example of H2, CO … VK Ocampo-Restrepo, L Zibordi-Besse, JLF Da Silva | | |
| Ab initio Study of the Adsorption Properties of Ni4 on (ZrO2) n n= 1, 2, 3 VMP da Silva, L Zibordi-Besse, JLF Da Silva Center for Innovation on New Energies, 8, 0 | | |
| Ab initio Investigation of the Adsorption of CO2 on Fe13 Cluster VK Ocampo-Restrepo, L Zibordi-Besse, JLF Da Silva Center for Innovation on New Energies, 25, 0 | | |
| Investigating the Mixed Oxides CenZr15–nO30 Clusters: Properties and Trends of Formation P Felício-Sousa, L Zibordi-Besse, J Mucelini, KF Andriani, Y Seminovski, ... Center for Innovation on New Energies, 7, 0 | | |
| Ab Initio Investigation of the Nano-interface Formation Mechanism between Fen (n= 1, 4 and 8) and (ZrO2) 13 Nanoclusters L Zibordi-Besse, JLF Da Silva Center for Innovation on New Energies, 20, 0 | | |
| Ab Initio Investigation of the Adsorption of CO VK Ocampo-Restrepo, L Zibordi-Besse, JLF Da Silva adsorption 2, 13, 0 | | |
| Supporting Information: Ab Initio Investigation of the Formation Mechanism of Nano-interfaces between 3d− Late Transition-Metals and ZrO2 Nanoclusters L Zibordi-Besse, LG Verga, VK Ocampo-Restrepo, JLF Da Silva | | |
Juarez L. F. Da SilvaUniversity of São Paulo (USP), São Carlos Institute of Chemistry (IQSC), São Carlos, SP, BrazilVerified email at iqsc.usp.br
