A computational investigation on the antioxidant potential of myricetin 3,4′-di-O-α-L-rhamnopyranoside RA Mendes, SKC Almeida, IN Soares, CA Barboza, RG Freitas, A Brown, ... Journal of Molecular Modeling 24, 1-8, 2018 | 49 | 2018 |
Probing the antioxidant potential of phloretin and phlorizin through a computational investigation RA Mendes, BLS e Silva, R Takeara, RG Freitas, A Brown, GLC De Souza Journal of Molecular Modeling 24, 1-10, 2018 | 44 | 2018 |
Evaluation of the antioxidant potential of myricetin 3-O-α-L-rhamnopyranoside and myricetin 4′-O-α-L-rhamnopyranoside through a computational study RA Mendes, SKC Almeida, IN Soares, CA Barboza, RG Freitas, A Brown, ... Journal of Molecular Modeling 25, 1-12, 2019 | 36 | 2019 |
The role of a simple and effective salicylidene derivative. Spectral broadening and performance improvement of PFO-based all-solution processed OLEDs LGTA Duarte, JC Germino, RA Mendes, JF Berbigier, MM Faleiros, ... Dyes and Pigments 171, 107671, 2019 | 31 | 2019 |
Excited state intramolecular proton transfer process in benzazole fluorophores tailored by polymeric matrix: A combined theoretical and experimental study JF Berbigier, LGTA Duarte, JM Perez, RA Mendes, E Zapp, TDZ Atvars, ... Journal of Molecular Liquids 295, 111710, 2019 | 17 | 2019 |
Electronic and magnetic properties of the [Ni (salophen)]: An experimental and DFT study RA Mendes, JC Germino, BR Fazolo, EHNS Thaines, F Ferraro, ... Journal of Advanced Research 9, 27-33, 2018 | 14 | 2018 |
The balance between charge mobility and efficiency in all-solution-processed organic light-emitting diodes of Zn (II) coordination compounds/PFO composites LGTA Duarte, JC Germino, RA Mendes, JF Berbigier, KS Moreira, ... The Journal of Physical Chemistry C 124 (38), 21036-21046, 2020 | 12 | 2020 |
The Devil’s Triangle of Kohn–Sham density functional theory and excited states RA Mendes, RLA Haiduke, RJ Bartlett The Journal of Chemical Physics 154 (7), 2021 | 11 | 2021 |
Exploring ground and low-lying excited states for diquat, paraquat, and dipyridyl isomers RA Mendes, RG de Freitas, A Brown, GLC de Souza Journal of Photochemistry and Photobiology A: Chemistry 402, 112817, 2020 | 10 | 2020 |
An experimental and theoretical study on the electronic and structural properties of CdSe@ TiO 2 nanotube arrays RG Freitas, FWS Lucas, MA Santanna, RA Mendes, AJ Terezo, ... Physical Chemistry Chemical Physics 18 (38), 26885-26893, 2016 | 10 | 2016 |
Impact of conformation on electron-scattering cross sections for formaldehyde dimers VAS Da Mata, RA Mendes, GLC de Souza Physical Review A 98 (4), 042707, 2018 | 9 | 2018 |
Synthesis and optical properties of a fluorene-benzothiadiazole anthracene copolymer A de Morais, LGTA Duarte, DA Turchetti, RA Mendes, JN de Freitas, ... Synthetic Metals 283, 116970, 2022 | 5 | 2022 |
Electron interactions with hydrogen peroxide (H2O2) NFO Araújo, RA Mendes, LE Machado, MT Lee, GLC de Souza Journal of Electron Spectroscopy and Related Phenomena 246, 147029, 2021 | 5 | 2021 |
Performance of new exchange–correlation functionals in providing vertical excitation energies of metal complexes RA Mendes, RLA Haiduke Theoretical Chemistry Accounts 140 (11), 146, 2021 | 4 | 2021 |
A density functional theory benchmark on antioxidant-related properties of polyphenols RA Mendes, VAS da Mata, A Brown, GLC de Souza Physical Chemistry Chemical Physics 26 (11), 8613-8622, 2024 | 2 | 2024 |
Sodium-ion electrolytes based on poly-ethylene oxide oligomers in dual-carbon cells: Anion size drives the charging behavior RA Mendes, LG Dias, JLF Da Silva, LJA Siqueira Nano Energy 118, 108957, 2023 | 2 | 2023 |
An electronic structure investigation of excited state intramolecular proton transfer in amino-benzazole derivatives: Relative energies and electron density descriptors RA Mendes, VAS da Mata, RLA Haiduke Journal of Photochemistry and Photobiology A: Chemistry 441, 114738, 2023 | 2 | 2023 |
Unveiling the mutual ion-storage mechanism of dual-carbon NaTFSI-WiSE Cells: A molecular dynamics study RA Mendes, LG Dias, JLF Da Silva, LJA Siqueira Carbon 205, 383-393, 2023 | 2 | 2023 |
All-solution processed single-layer WOLEDs using [Pt (salicylidenes)] as guests in a PFO matrix JC Germino, LGTA Duarte, RA Mendes, MM Faleiros, A de Morais, ... Nanomaterials 12 (14), 2497, 2022 | 2 | 2022 |
Beyond Explored Functionals: A Computational Journey of Two-Photon Absorption IA Elayan, L Rib, R A. Mendes, A Brown Journal of Chemical Theory and Computation 20 (9), 3879-3893, 2024 | 1 | 2024 |