| Peracetic acid: Structural elucidation for applications in wastewater treatment WP da Silva, TD Carlos, GS Cavallini, DH Pereira Water Research 168, 115143, 2020 | 97 | 2020 |
| DFT study of the application of polymers cellulose and cellulose acetate for adsorption of metal ions (Cd2+, Cu2+ and Cr3+) potentially toxic DT Reis, IHS Ribeiro, DH Pereira Polymer Bulletin 77, 3443-3456, 2020 | 59 | 2020 |
| New perspectives on the role of frontier molecular orbitals in the study of chemical reactivity: a review DH Pereira, FA La Porta, RT Santiago, DR Garcia, TC Ramalho Brazilian Chemical Soc, 2016 | 44 | 2016 |
| A DFT-based analysis of adsorption of Cd2+, Cr3+, Cu2+, Hg2+, Pb2+, and Zn2+, on vanillin monomer: a study of the removal of metal ions from effluents IHS Ribeiro, DT Reis, DH Pereira Journal of Molecular Modeling 25 (9), 267, 2019 | 42 | 2019 |
| Implementation of pseudopotential in the G3 theory for molecules containing first-, second-, and non-transition third-row atoms DH Pereira, AF Ramos, NH Morgon, R Custodio The Journal of Chemical Physics 135 (3), 2011 | 39 | 2011 |
| Fenton-type process using peracetic acid: Efficiency, reaction elucidations and ecotoxicity TD Carlos, LB Bezerra, MM Vieira, RA Sarmento, DH Pereira, ... Journal of Hazardous Materials 403, 123949, 2021 | 37 | 2021 |
| Assessment of Geosites Touristic Value in Geoparks: The Example of Arouca Geopark (Portugal) P Pereira, D Pereira Proceedings of the 11th European Geoparks Conference, Arouca, Portugal, 19-21, 2012 | 34 | 2012 |
| Course-related depressive syndromes in schizophrenia. SG Siris, A Rifkin, GT Reardon, J Endicott, DH Pereira, R Hayes, E Casey The American Journal of Psychiatry 141 (10), 1254-1257, 1984 | 31 | 1984 |
| Removal of fatty acid by natural and modified bentonites: elucidation of adsorption mechanism RF Resende, PVB Leal, DH Pereira, RM Papini, ZM Magriotis Colloids and Surfaces A: Physicochemical and Engineering Aspects 605, 125340, 2020 | 27 | 2020 |
| Assessment of G3 (MP2)//B3 theory including a pseudopotential for molecules containing first-, second-, and third-row representative elements CMR Rocha, DH Pereira, NH Morgon, R Custodio The Journal of Chemical Physics 139 (18), 2013 | 26 | 2013 |
| Formation of Ag nanoparticles under electron beam irradiation: Atomistic origins from first‐principles calculations J Andres, AF Gouveia, L Gracia, E Longo, G Manzeppi Faccin, ... International Journal of Quantum Chemistry 118 (9), e25551, 2018 | 25 | 2018 |
| G4CEP: A G4 theory modification by including pseudopotential for molecules containing first-, second-and third-row representative elements CS Silva, DH Pereira, R Custodio The Journal of Chemical Physics 144 (20), 2016 | 25 | 2016 |
| When treatment increases the contaminant's ecotoxicity: A study of the Fenton process in the degradation of methylene blue MM Vieira, ASP Dornelas, TD Carlos, A Pallini, C Gravato, DH Pereira, ... Chemosphere 283, 131117, 2021 | 22 | 2021 |
| Energy potential of biomass from two types of genetically improved rice husks in Brazil: A theoretical-experimental study CGL Grotto, CJG Colares, DR Lima, DH Pereira, AT do Vale Biomass and Bioenergy 142, 105816, 2020 | 22 | 2020 |
| Carboxymethylcellulose and cellulose xanthate matrices as potential adsorbent material for potentially toxic Cr3+, Cu2+ and Cd2+metal ions: a theoretical study DT Reis, SQ de Aguiar Filho, CGL Grotto, MFR Bihain, DH Pereira Theoretical Chemistry Accounts 139, 1-8, 2020 | 20 | 2020 |
| A study of the rotational barriers for some organic compounds using the G3 and G3CEP theories DH Pereira, LC Ducati, R Rittner, R Custodio Journal of molecular modeling 20, 1-14, 2014 | 20 | 2014 |
| Thermal and solvent effects on NMR indirect spin–spin coupling constants of a prototypical Chagas disease drug TC Ramalho, DH Pereira, W Thiel The Journal of Physical Chemistry A 115 (46), 13504-13512, 2011 | 20 | 2011 |
| Theoretical insights about the possibility of removing Pb2+ and Hg2+ metal ions using adsorptive processes and matrices of carboxymethyl diethylaminoethyl cellulose and … AMF Costa, SQ de Aguiar Filho, TJ Santos, DH Pereira Journal of Molecular Liquids 331, 115730, 2021 | 19 | 2021 |
| W1CEP theory for computational thermochemistry G Heerdt, DH Pereira, R Custodio, NH Morgon Computational and Theoretical Chemistry 1067, 84-92, 2015 | 19 | 2015 |
| Effect of dimethyl sulfoxide intercalation into kaolinite on etheramine adsorption: experimental and theoretical investigation PVB Leal, DH Pereira, RM Papini, ZM Magriotis Journal of Environmental Chemical Engineering 9 (4), 105503, 2021 | 18 | 2021 |
