| Structural analysis of flavonoids in solution through DFT 1H NMR chemical shift calculations: Epigallocatechin, Kaempferol and Quercetin LA De Souza, WMG Tavares, APM Lopes, MM Soeiro, WB De Almeida Chemical Physics Letters 676, 46-52, 2017 | 69 | 2017 |
| DFT study of cisplatin@ carbon nanohorns complexes LA De Souza, CAS Nogueira, JF Lopes, HF Dos Santos, WB De Almeida Journal of Inorganic Biochemistry 129, 71-83, 2013 | 48 | 2013 |
| Structural Determination of Antioxidant and Anticancer Flavonoid Rutin in Solution through DFT Calculations of 1H NMR Chemical Shifts LA De Souza, HC Da Silva, WB De Almeida ChemistryOpen 7 (11), 902-913, 2018 | 37 | 2018 |
| Theoretical Study of the Formation of Inclusion Complex Between Cisplatin and Single Wall Carbon Nanotube. LA De Souza, CAS Nogueira, JF Lopes, HF Dos Santos, WB De Almeida Journal of Physical Chemistry C 119, 8394-8401, 2015 | 37 | 2015 |
| A DFT Study of Molecular Structure and 1H NMR, IR and UV-vis Spectrum of Zn(II)-Kaempferol Complexes: A Metal-flavonoid complex showing enhanced anticancer activity. LA De Souza, MM Soeiro, WB De Almeida INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 25773, 1-15, 2018 | 30 | 2018 |
| Inclusion complex between cisplatin and single-walled carbon nanotube: An integrated experimental and theoretical approach LA De Souza, CAS Nogueira, PFR Ortega, JF Lopes, HDR Calado, ... Inorganica Chimica Acta 447, 38-44, 2016 | 30 | 2016 |
| Oxidized single-walled carbon nanotubes and nanocones: a DFT study LA De Souza, AM Da Silva, HF Dos Santos, WB De Almeida RSC Advances 7 (22), 13212-13222, 2017 | 28 | 2017 |
| A DFT investigation of lithium adsorption on graphenes as a potential anode material in lithium-ion batteries LA De Souza, G Monteiro de Castro, LF Marques, JC Belchior Journal of Molecular Graphics and Modelling 108, 107998, 2021 | 27 | 2021 |
| Determination of Anticancer Zn(II)–Rutin Complex Structures in Solution through Density Functional Theory Calculations of 1H NMR and UV–VIS Spectra HC Da Silva, LA De Souza, HF Dos Santos, WB De Almeida ACS omega 5 (6), 3030-3042, 2020 | 27 | 2020 |
| Water Solvent Effect on Theoretical Evaluation of 1H NMR Chemical Shifts: o-Methyl-Inositol Isomer HF Dos Santos, MA Chagas, LA De Souza, WR Rocha, MV De Almeida, ... The Journal of Physical Chemistry A 121 (14), 2839-2846, 2017 | 26 | 2017 |
| Chemically modified carbon nanohorns as nanovectors of the cisplatin drug: a molecular dynamics study ER Almeida, LA De Souza, WB De Almeida, HF Dos Santos Journal of Chemical Information and Modeling 60 (2), 500-512, 2019 | 23 | 2019 |
| Inclusion complexes between cisplatin and oxidized carbon nanostructures: A theoretical approach LA De Souza, HF Dos Santos, LT Costa, WB De Almeida Journal of inorganic biochemistry 178, 134-143, 2018 | 22 | 2018 |
| Molecular dynamics of carbon nanohorns and their complexes with cisplatin in aqueous solution ER Almeida, LA De Souza, WB De Almeida, HF Dos Santos Journal of Molecular Graphics and Modelling 89, 167-177, 2019 | 19 | 2019 |
| Structure, stability, and infrared spectrum of capped carbon cones: a DFTB study HF Dos Santos, LA De Souza, WB De Almeida, T Heine The Journal of Physical Chemistry C 118 (42), 24761-24768, 2014 | 17 | 2014 |
| Theoretical study of structure and non-linear optical properties of Zn (II) porphyrin adsorbed on carbon nanotubes LA De Souza, AM Da Silva Jr, GMA Junqueira, ACM Carvalho, ... Journal of Molecular Structure: THEOCHEM 959 (1-3), 92-100, 2010 | 17 | 2010 |
| Exploring the Intense Lanthanide Luminescence and High Thermal Stability in a New Mixed Eu3+/Tb3+ Organic Framework Series for Marking in Gunshot Residues JP De Oliveira Silva, MV Colaço, LA De Souza, MV Dos Santos, ... The Journal of Physical Chemistry C 126 (38), 16568-16577, 2022 | 13 | 2022 |
| Synthesis and structural characterization of a 8-hydroxyquinoline derivative coordinated to Zn (II) LV De Freitas, ALSF Dos Santos, FC Da Costa, JB Calixto, PVP Miranda, ... Journal of Molecular Structure 1169, 119-129, 2018 | 12 | 2018 |
| Donor–acceptor diethynylsilane oligomers: A second‐order nonlinear optical material AEDA Machado, LAD Souza, HF Dos Santos, WBD Almeida Journal of Polymer Science Part B: Polymer Physics 49 (19), 1410-1419, 2011 | 9 | 2011 |
| Chemical Absorption of CO2 Enhanced by Solutions of Alkali Hydroxides and Alkoxides at Room Temperature PC De Carvalho Pinto, TV Batista, G De Rezende Ferreira, GP Voga, ... ChemistrySelect 7 (43), e202202731, 2022 | 7 | 2022 |
| Structure and stability of Eu3+ complexes derivatives from non-steroidal anti-inflammatory drug ibuprofen through a DFT study LA De Souza, LDS Ferreira, EM Gomes, JPO Silva, JC Belchior, ... Computational and Theoretical Chemistry 1209, 113602, 2022 | 6 | 2022 |
Hélio Ferreira dos SantosUniversidade Federal de Juiz de ForaVerified email at ufjf.edu.br
