A DFT analysis of electronic, reactivity, and NLO responses of a reactive orange dye: the role of Hartree-Fock exchange corrections S Fonseca, L Santos, R Pereira, L Modesto-Costa, AR da Cunha, ... Journal of Molecular Modeling, 2022 | 5 | 2022 |
The Solute Polarization and Structural Effects on the Nonlinear Optical Response of Based Chromone Molecules S Fonseca, N Santos, A Cunha, S Canuto, P Provasi, T Andrade-Filho, ... ChemPhysChem, 2023 | 4 | 2023 |
Role of the Solvent and Intramolecular Hydrogen Bonds in the Antioxidative Mechanism of Prenylisoflavone from Leaves of Vatairea guianensis S Fonseca, N Santos, A Torres, M Siqueira, AR Rodrigues, V Manzoni, ... Journal of Physical Chemistry A, 2023 | 3 | 2023 |
Designing a novel organometallic chalcone with an enormous second-harmonic generation response S Fonseca, L Modesto-Costa, E Milán-Garcés, T Andrade-Filho, R Gester, ... Materials Today Communications, 2022 | 2 | 2022 |
Biotransformation of 1-nitro-2-phenylethane → 2-phenylethanol from fungi species of the Amazon biome: an experimental and theoretical analysis N Santos, S Fonseca, FF Almeida, E Belo, M Siqueira, S Silva, DA Santos, ... Journal of Molecular Modeling 29 (8), 19, 2023 | 1 | 2023 |
Experimental and theoretical study of nitro compounds to aromatic alcohol: a sustainable biocatalytic transformation from Amazonian fungi NSS dos Santos, S Fonseca, FF Almeida, E Belo, M Siqueira, ... Sociedad Brasilera de Química Teórica, 2023 | | 2023 |
Nonlinear optical response of alpha-terpinolene and beta-phellandrene chromophores: an octupolar gas-to-solvent enhancement able to retain light conduction N Santos, S Fonseca, A Moura, AR Cunha, PF Provasi, T Andrade-Filho, ... Optik 291, 1-11, 2023 | | 2023 |