Augmented Gaussian basis sets for the elements K, Sc–Kr, Rb, and Y–Xe: Application in HF, MP2, and DFT calculations of molecular electric properties LSC Martins, FAL de Souza, GA Ceolin, FE Jorge, RC de Berrêdo, ... Computational and Theoretical Chemistry 1013, 62-69, 2013 | 64 | 2013 |
Electrical detection of nucleotides via nanopores in a hybrid graphene/h-BN sheet FAL de Souza, RG Amorim, WL Scopel, RH Scheicher Nanoscale 9 (6), 2207-2212, 2017 | 59 | 2017 |
NMR spectral parameters in graphene, graphite, and related materials: Ab initio calculations and experimental results FAL de Souza, AR Ambrozio, ES Souza, DF Cipriano, WL Scopel, ... The Journal of Physical Chemistry C 120 (48), 27707-27716, 2016 | 49 | 2016 |
Topological line defects in graphene for applications in gas sensing FAL de Souza, RG Amorim, J Prasongkit, WL Scopel, RH Scheicher, ... Carbon 129, 803-808, 2018 | 46 | 2018 |
Nano-structured interface of graphene and h-BN for sensing applications FAL De Souza, RG Amorim, WL Scopel, RH Scheicher Nanotechnology 27 (36), 365503, 2016 | 33 | 2016 |
Hybrid 2D nanodevices (graphene/h-BN): selecting NO x gas through the device interface FAL de Souza, G Sivaraman, J Hertkorn, RG Amorim, M Fyta, WL Scopel Journal of Materials Chemistry A 7 (15), 8905-8911, 2019 | 31 | 2019 |
Topological line defects around graphene nanopores for DNA sequencing J Prasongkit, E de Freitas Martins, FAL De Souza, WL Scopel, RG Amorim, ... The Journal of Physical Chemistry C 122 (13), 7094-7099, 2018 | 27 | 2018 |
Electrically sensing Hachimoji DNA nucleotides through a hybrid graphene/h-BN nanopore FAL de Souza, G Sivaraman, M Fyta, RH Scheicher, WL Scopel, ... Nanoscale 12 (35), 18289-18295, 2020 | 26 | 2020 |
Tuning the photocatalytic water-splitting capability of two-dimensional α-In 2 Se 3 by strain-driven band gap engineering EF Procopio, RN Pedrosa, FAL de Souza, WS Paz, WL Scopel Physical Chemistry Chemical Physics 22 (6), 3520-3526, 2020 | 21 | 2020 |
Trends in the spin states and mean static dipole polarizability of the group VIIIA metallocenes FNN Pansini, FAL de Souza The Journal of Physical Chemistry A 120 (17), 2771-2778, 2016 | 21 | 2016 |
Controlled current confinement in interfaced 2D nanosensor for electrical identification of DNA FAL de Souza, RG Amorim, WL Scopel, RH Scheicher Physical Chemistry Chemical Physics 21 (45), 24884-24890, 2019 | 20 | 2019 |
Molecules under external electric field: On the changes in the electronic structure and validity limits of the theoretical predictions FNN Pansini, FAL De Souza, CT Campos Journal of Computational Chemistry 39 (20), 1561-1567, 2018 | 18 | 2018 |
Basis set convergence on static electric dipole polarizability calculations of alkali-metal clusters FAL de Souza, FE Jorge Journal of the Brazilian Chemical Society 24, 1357-1365, 2013 | 18 | 2013 |
Electronic Transport along Hybrid MoS2 Monolayers G Sivaraman, FAL De Souza, RG Amorim, WL Scopel, M Fyta, ... The Journal of Physical Chemistry C 120 (41), 23389-23396, 2016 | 16 | 2016 |
13C NMR Parameters of Disordered Carbons: Atomistic Simulations, DFT Calculations, and Experimental Results AR Ambrozio, JM Leyssale, RJM Pellenq, FAL de Souza, GL Vignoles, ... The Journal of Physical Chemistry C 124 (23), 12784-12793, 2020 | 9 | 2020 |
NMR spectral parameters of open-and closed-shell graphene nanoflakes: Orbital and hyperfine contributions FAL de Souza, FNN Pansini, AR Ambrozio, JCC Freitas, WL Scopel Carbon 191, 374-383, 2022 | 8 | 2022 |
Emergence of Topological Edge States in Oxidized α-In2Se3 Nanosheets: Implications for Field-Effect Transistors EF Procopio, N N Batista, FA L de Souza, WS Paz, JJ Palacios, ... ACS Applied Nano Materials 4 (8), 8154-8161, 2021 | 8 | 2021 |
L. Filho, AR Ambrozio, J. Freitas and WL Scopel F de Souza, F Pansini Carbon 191, 374-383, 2022 | 5 | 2022 |
C-doping anisotropy effects on borophene electronic transport TLG Cabral, LTS de Miranda, DC de Melo Rodrigues, FAL de Souza, ... Journal of Physics: Condensed Matter 34 (9), 095502, 2021 | 4 | 2021 |
Size and shape effects on the stability, electronic structure, and Raman spectroscopy of (SrO)n nanoclusters LF Filho, FNN Pansini, FAL de Souza International Journal of Quantum Chemistry 121 (12), e26642, 2021 | 4 | 2021 |