Bernardo de Souza
Bernardo de Souza
FAccTs GmbH
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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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Binuclear CuII complexes as catalysts for hydrocarbon and catechol oxidation reactions with hydrogen peroxide and molecular oxygen
LR Martins, ET Souza, TL Fernandez, B Souza, S Rachinski, CB Pinheiro, ...
Journal of the Brazilian Chemical Society 21, 1218-1229, 2010
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
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
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
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