| Synthesis of rubrolide analogues as new inhibitors of the photosynthetic electron transport chain LCA Barbosa, CRA Maltha, MR Lage, RC Barcelos, A Dona, ... Journal of agricultural and food chemistry 60 (42), 10555-10563, 2012 | 45 | 2012 |
| Semisynthetic phenol derivatives obtained from natural phenols: antimicrobial activity and molecular properties PF Pinheiro, LAP Menini, PC Bernardes, SH Saraiva, JWM Carneiro, ... Journal of agricultural and food chemistry 66 (1), 323-330, 2018 | 44 | 2018 |
| Modeling, kinetic, and equilibrium characterization of paraquat adsorption onto polyurethane foam using the ion-pairing technique JO Vinhal, MR Lage, JWM Carneiro, CF Lima, RJ Cassella Journal of environmental management 156, 200-208, 2015 | 39 | 2015 |
| Xanthenones: calixarenes-catalyzed syntheses, anticancer activity and QSAR studies DL da Silva, BS Terra, MR Lage, ALTG Ruiz, CC da Silva, JE de Carvalho, ... Organic & biomolecular chemistry 13 (11), 3280-3287, 2015 | 35 | 2015 |
| Adsorption of the herbicides diquat and difenzoquat on polyurethane foam: Kinetic, equilibrium and computational studies JO Vinhal, KK Nege, MR Lage, JWM Carneiro, CF Lima, RJ Cassella Ecotoxicology and environmental safety 145, 597-604, 2017 | 28 | 2017 |
| Voltammetric and theoretical study of the redox properties of rubrolide analogues JOS Varejao, LCA Barbosa, CRA Maltha, MR Lage, M Lanznaster, ... Electrochimica Acta 120, 334-343, 2014 | 23 | 2014 |
| Adsorption of bitumen model compounds on kaolinite in liquid and supercritical carbon dioxide solvents: a study by periodic density functional theory and molecular theory of … MR Lage, SR Stoyanov, JWM Carneiro, T Dabros, A Kovalenko Energy & Fuels 29 (5), 2853-2863, 2015 | 13 | 2015 |
| Structural, thermal, vibrational, solubility and DFT studies of a tolbutamide co-amorphous drug delivery system for treatment of diabetes MR Sá, JMG Sarraguça, FF de Sousa, MSC Sarraguça, JA Lopes, ... International Journal of Pharmaceutics 615, 121500, 2022 | 12 | 2022 |
| Synthesis, characterization, and thermal and computational investigations of the l-histidine bis(fluoride) crystal IFS Reis, JR Viana, JG de Oliveira Neto, SR Stoyanov, JW de M. Carneiro, ... Journal of Molecular Modeling 28 (8), 222, 2022 | 10 | 2022 |
| Natural polyprenylated benzophenone: keto-enol tautomerism from density functional calculations and the AIM theory MR Lage, JM Morbec, MH Santos, JW de M. Carneiro, LT Costa Journal of molecular modeling 23, 1-7, 2017 | 9 | 2017 |
| Tautomerism in quinoxalines derived from the 1, 4-naphthoquinone nucleus: acid mediated synthesis, X-ray molecular structure of 5-chlorobenzo [f] quinoxalin-6-ol and density … JAG Gomez, MR Lage, JWM Carneiro, JALC Resende, MD Vargas Journal of the Brazilian Chemical Society 24, 219-229, 2013 | 9 | 2013 |
| Crystal growth, crystal structure determination, and computational studies of a new mixed (NH4)2Mn1–xZnx(SO4)2(H2O)6 Tutton salt JGO Neto, JR Viana, JBO Lopes, ADSG Lima, ML Sousa, MR Lage, ... Journal of Molecular Modeling 28 (11), 341, 2022 | 5 | 2022 |
| Supramolecular dimers drive the reaction between CO2 and alkanolamines towards carbonate formation TC dos Santos, MR Lage, AFM da Silva, TS Fernandes, JWM Carneiro, ... Journal of CO2 Utilization 61, 102054, 2022 | 5 | 2022 |
| DFT, molecular docking, and ADME/Tox screening investigations of Market-Available drugs against SARS-CoV-2 JL Araújo, LA Sousa, AO Sousa, RS Bastos, GT Santos, MR Lage, ... Journal of the Brazilian Chemical Society 32, 1628-1641, 2021 | 5 | 2021 |
| Computational and experimental investigations of the role of water and alcohols in the desorption of heterocyclic aromatic compounds from kaolinite in toluene MR Lage, GK Dedzo, SR Stoyanov, WJ Huang, S Gusarov, JWM Carneiro, ... The Journal of Physical Chemistry C 122 (19), 10377-10391, 2018 | 4 | 2018 |
| Synthesis, characterization, DFT study, and antibacterial activity of a coordination complex of Cu (II) with 1, 10-phenanthroline and l-methionine ligands JAO Rodrigues, AU Torres, NAB de Sousa, TJD de Sousa, JGO Neto, ... Journal of Molecular Structure 1293, 136197, 2023 | 3 | 2023 |
| Bioactivity and molecular properties of Phenoxyacetic Acids Derived from Eugenol and Guaiacol compared to the herbicide 2, 4-D TA Alves, PF Pinheiro, MM Praca-Fontes, LF Andrade-Vieira, ... Anais da Academia Brasileira de Ciências 93, e20191368, 2021 | 3 | 2021 |
| Crystal Structure and 1H NMR Experimental and Theoretical Study of Conformers of 5-Methyl-1-(4’-methylphenylsulfonylamino)-1H-[1,2,3]-triazole-4-carboxylic Acid Ethyl … MCR Freitas, VR Campos, JALC Resende, MMP da Silva, VF Ferreira, ... Journal of the Brazilian Chemical Society 31, 867-885, 2020 | 3 | 2020 |
| Acid-Catalyzed ZE Isomerization of γ-Alkylidenebutenolides: An Experimental and DFT Study JOS Varejão, LCA Barbosa, EVV Varejão, AH Souza, MR Lage, ... Journal of the Brazilian Chemical Society 31, 90-99, 2020 | 3 | 2020 |
| Theoretical study of keto-enol tautomerism in 7-epi-clusianone by quantum chemical calculations of NMR chemical shifts ACF de Albuquerque, GS Corrêa, GT Albuquerque, FLP Costa, LT Costa, ... Journal of Molecular Modeling 28 (8), 239, 2022 | 2 | 2022 |
