| Adsorption energies on transition metal surfaces: towards an accurate and balanced description RB Araujo, GLS Rodrigues, EC Dos Santos, LGM Pettersson Nature Communications 13 (1), 6853, 2022 | 40 | 2022 |
| Sequestrating anionic and cationic dyes from wastewater using spray dried biopolymeric magnetic composite: Experimental and theoretical studies SJ Olusegun, GLS Rodrigues, ETF Freitas, LRS Lara, WR Rocha, ... Journal of hazardous materials 380, 120872, 2019 | 28 | 2019 |
| [Ag(L)NO3] Complexes with 2-Benzoylpyridine-Derived Hydrazones: Cytotoxic Activity and Interaction with Biomolecules AF Santos, IP Ferreira, CB Pinheiro, VG Santos, MTP Lopes, LR Teixeira, ... ACS omega 3 (6), 7027-7035, 2018 | 28 | 2018 |
| Experimental and theoretical investigation on corrosion inhibition of hexamethylenetetramine [HMT] for mild steel in acidic solution S Aribo, SJ Olusegun, GLS Rodrigues, AS Ogunbadejo, B Igbaroola, ... Journal of the Taiwan Institute of Chemical Engineers 112, 222-231, 2020 | 22 | 2020 |
| In situ surface-sensitive investigation of multiple carbon phases on Fe (110) in the Fischer–Tropsch synthesis M Shipilin, D Degerman, P Lömker, CM Goodwin, GLS Rodrigues, ... ACS catalysis 12 (13), 7609-7621, 2022 | 18 | 2022 |
| Formation and Release of NO from Ruthenium Nitrosyl Ammine Complexes [Ru(NH3)5(NO)]2+/3+ in Aqueous Solution: A Theoretical Investigation GLS Rodrigues, WR Rocha The Journal of Physical Chemistry B 120 (45), 11821-11833, 2016 | 17 | 2016 |
| Operando probing of the surface chemistry during the Haber–Bosch process CM Goodwin, P Lömker, D Degerman, B Davies, M Shipilin, ... Nature 625 (7994), 282-286, 2024 | 12 | 2024 |
| Silver (I) complexes with 2-acetylpyridinebenzoylhydrazones exhibit antimicrobial effects against yeast and filamentous fungi AF Santos, IP Ferreira, JA Takahashi, GLS Rodrigues, CB Pinheiro, ... New Journal of Chemistry 42 (3), 2125-2132, 2018 | 12 | 2018 |
| Comparative characteristics and enhanced removal of tetracycline and ceftriaxone by Fe3O4-lignin and Fe3O4-carbon-based lignin: Mechanism, thermodynamic evaluation, and DFT … SJ Olusegun, M Osial, TGF Souza, M Krajewski, GLS Rodrigues, P Marek, ... Journal of Molecular Liquids 371, 121075, 2023 | 10 | 2023 |
| Accuracy of XAS theory for unraveling structural changes of adsorbates: CO on Ni(100) JV Elias Diesen, Gabriel L. S. Rodrigues, Alan C. Luntz, Frank Abild ... AIP Advances 10, 115014, 2020 | 8 | 2020 |
| Symmetry-resolved CO desorption and oxidation dynamics on O/Ru (0001) probed at the C K-edge by ultrafast x-ray spectroscopy J LaRue, B Liu, GLS Rodrigues, C Liu, JA Garrido Torres, S Schreck, ... The Journal of Chemical Physics 157 (16), 2022 | 5 | 2022 |
| Nature of the bond, reduction potential, and solvation properties of ruthenium nitrosyl complexes of the type trans‐[Ru (NH3) 4 (L)(NO)] 2+/3+ and [Ru (salen)(L)(NO)] 2+/3+ in … GL Silva Rodrigues, WR Rocha International Journal of Quantum Chemistry 121 (4), e26476, 2021 | 5 | 2021 |
| Multiconfigurational Pair-Density Functional Theory Is More Complex than You May Think GLS Rodrigues, M Scott, MG Delcey The Journal of Physical Chemistry A 127 (44), 9381-9388, 2023 | 3 | 2023 |
| Revisiting the tropospheric OH-initiated unimolecular decomposition of chlorpyrifos and chlorpyrifos-methyl: A theoretical perspective MM Quintano, GLS Rodrigues, MA Chagas, WR Rocha The Journal of Physical Chemistry A 124 (21), 4280-4289, 2020 | 3 | 2020 |
| Simulations of x-ray absorption spectra for CO desorbing from Ru (0001) with transition-potential and time-dependent density functional theory approaches GLS Rodrigues, E Diesen, J Voss, P Norman, LGM Pettersson Structural Dynamics 9 (1), 2022 | 2 | 2022 |
| Variational Pair-Density Functional Theory: Dealing with Strong Correlation at the Protein Scale M Scott, GLS Rodrigues, X Li, MG Delcey Journal of Chemical Theory and Computation 20 (6), 2423-2432, 2024 | 1 | 2024 |
| Electronic structure and mechanism for the uptake of nitric oxide by the Ru (iii) antitumor complex NAMI-A ES Pereira, GLS Rodrigues, WR Rocha RSC advances 11 (13), 7381-7390, 2021 | 1 | 2021 |
| Complexos de rutênio com óxido nítrico: estrutura eletrônica, solvatação e natureza da ligação Ru-NO GLS Rodrigues Universidade Federal de Minas Gerais, 2015 | 1 | 2015 |
| Removal of doxorubicin hydrochloride and crystal violet from aqueous solutions using spray-dried niobium oxide coated with chitosan-activated carbon: Experimental and DFT … SJ Olusegun, GLS Rodrigues, S Tiwari, M Krajewski, NDS Mohallem, ... International Journal of Biological Macromolecules 266, 131158, 2024 | | 2024 |
| How do microplastics alter molluscicidal activity? Effects of weathered microplastics and niclosamide in developing freshwater snails CC Rodrigues, CAY Harayashiki, ES Pereira, GLS Rodrigues, BJ Neves, ... Science of the Total Environment 922, 171165, 2024 | | 2024 |
Willian R. RochaDepartamento de Química - ICEX, Universidade Federal de Minas Gerais在 ufmg.br 的电子邮件经过验证
