| Predicting phosphorescence rates of light organic molecules using time-dependent density functional theory and the path integral approach to dynamics B De Souza, G Farias, F Neese, R Izsak Journal of chemical theory and computation 15 (3), 1896-1904, 2019 | 207 | 2019 |
| On the theoretical prediction of fluorescence rates from first principles using the path integral approach B De Souza, F Neese, R Izsák The Journal of chemical physics 148 (3), 2018 | 173 | 2018 |
| An improved chain of spheres for exchange algorithm B Helmich-Paris, B de Souza, F Neese, R Izsák The Journal of Chemical Physics 155 (10), 2021 | 126 | 2021 |
| Electronic Structure and Spectro-Structural Correlations of FeIIIZnII Biomimetics for Purple Acid Phosphatases: Relevance to DNA Cleavage and Cytotoxic Activity RA Peralta, AJ Bortoluzzi, B de Souza, R Jovito, FR Xavier, RAA Couto, ... Inorganic chemistry 49 (24), 11421-11438, 2010 | 99 | 2010 |
| PEI-coated gold nanoparticles decorated with laccase: A new platform for direct electrochemistry of enzymes and biosensingapplications D Brondani, B de Souza, BS Souza, A Neves, IC Vieira Biosensors and Bioelectronics 42, 242-247, 2013 | 95 | 2013 |
| Persistent solid‐state phosphorescence and delayed fluorescence at room temperature by a twisted hydrocarbon CAM Salla, G Farias, M Rouzières, P Dechambenoit, F Durola, H Bock, ... Angewandte Chemie International Edition 58 (21), 6982-6986, 2019 | 90 | 2019 |
| Synthesis of substituted dipyrido [3, 2-a: 2′, 3′-c] phenazines and a new heterocyclic dipyrido [3, 2-f: 2′, 3′-h] quinoxalino [2, 3-b] quinoxaline F da Silva Miranda, AM Signori, J Vicente, B de Souza, JP Priebe, ... Tetrahedron 64 (22), 5410-5415, 2008 | 64 | 2008 |
| Liquid crystal and gold nanoparticles applied to electrochemical immunosensor for cardiac biomarker E Zapp, E Westphal, H Gallardo, B de Souza, IC Vieira Biosensors and Bioelectronics 59, 127-133, 2014 | 60 | 2014 |
| Synthesis, characterization, hydrolase and catecholase activity of a dinuclear iron (III) complex: Catalytic promiscuity TP Camargo, FF Maia, C Chaves, B de Souza, AJ Bortoluzzi, N Castilho, ... Journal of Inorganic Biochemistry 146, 77-88, 2015 | 50 | 2015 |
| Synthesis, photophysical properties and spectroelectrochemical characterization of 10-(4-methyl-bipyridyl)-5, 15-(pentafluorophenyl) corrole RC Pivetta, BL Auras, B de Souza, A Neves, FS Nunes, LHZ Cocca, ... Journal of Photochemistry and Photobiology A: chemistry 332, 306-315, 2017 | 43 | 2017 |
| Second-Coordination-Sphere Effects Increase the Catalytic Efficiency of an Extended Model for FeIIIMII Purple Acid Phosphatases B de Souza, GL Kreft, T Bortolotto, H Terenzi, AJ Bortoluzzi, ... Inorganic Chemistry 52 (7), 3594-3596, 2013 | 37 | 2013 |
| DNA photonuclease activity of four new copper (II) complexes under UV and red light: theoretical/experimental correlations with active species generation B de Souza, AJ Bortoluzzi, T Bortolotto, FL Fischer, H Terenzi, ... Dalton Transactions 39 (8), 2027-2035, 2010 | 34 | 2010 |
| Catalytic promiscuity: catecholase-like activity and hydrolytic DNA cleavage promoted by a mixed-valence FeIII FeII complex A Neves, AJ Bortoluzzi, R Jovito, RA Peralta, B Souza, B Szpoganicz, ... Journal of the Brazilian Chemical Society 21, 1201-1212, 2010 | 31 | 2010 |
| Synthesis and characterization of Fe III (μ-OH) Zn II complexes: effects of a second coordination sphere and increase in the chelate ring size on the hydrolysis of a phosphate … GA dos Santos Silva, AL Amorim, B De Souza, P Gabriel, H Terenzi, ... Dalton Transactions 46 (34), 11380-11394, 2017 | 29 | 2017 |
| Redesigning donor–acceptor Stenhouse adduct photoswitches through a joint experimental and computational study R Berraud-Pache, E Santamaría-Aranda, B de Souza, G Bistoni, F Neese, ... Chemical Science 12 (8), 2916-2924, 2021 | 28 | 2021 |
| Efficient simulation of overtones and combination bands in resonant Raman spectra B de Souza, G Farias, F Neese, R Izsák The Journal of Chemical Physics 150 (21), 2019 | 27 | 2019 |
| Oxygen-independent photonuclease activity of a new Iron (II) COMPLEX B de Souza, FR Xavier, RA Peralta, AJ Bortoluzzi, G Conte, H Gallardo, ... Chemical Communications 46 (19), 3375-3377, 2010 | 27 | 2010 |
| Quantum computing in pharma: A multilayer embedding approach for near future applications R Izsák, C Riplinger, NS Blunt, B de Souza, N Holzmann, O Crawford, ... Journal of Computational Chemistry 44 (3), 406-421, 2023 | 25 | 2023 |
| Reducing lifetime in Cu (i) complexes with thermally activated delayed fluorescence and phosphorescence promoted by chalcogenolate–diimine ligands G Farias, CAM Salla, RS Heying, AJ Bortoluzzi, SF Curcio, T Cazati, ... Journal of Materials Chemistry C 8 (41), 14595-14604, 2020 | 25 | 2020 |
| Mechanism of palladium (II)-mediated uncaging reactions of propargylic substrates SE Coelho, FSS Schneider, DC de Oliveira, GL Tripodi, MN Eberlin, ... ACS Catalysis 9 (5), 3792-3799, 2019 | 25 | 2019 |
