| Narrowing the error in electron correlation calculations by basis set re-hierarchization and use of the unified singlet and triplet electron-pair extrapolation scheme … AJC Varandas, FNN Pansini The Journal of chemical physics 141 (22), 2014 | 96 | 2014 |
| Extrapolation of Hartree–Fock and multiconfiguration self-consistent-field energies to the complete basis set limit FNN Pansini, AC Neto, AJC Varandas Theoretical Chemistry Accounts 135 (12), 261, 2016 | 57 | 2016 |
| On the performance of various hierarchized bases in extrapolating the correlation energy to the complete basis set limit FNN Pansini, AC Neto, AJC Varandas Chemical Physics Letters 641, 90-96, 2015 | 35 | 2015 |
| Toward a unified single-parameter extrapolation scheme for the correlation energy: Systems formed by atoms of hydrogen through neon FNN Pansini, AJC Varandas Chemical Physics Letters 631, 70-77, 2015 | 27 | 2015 |
| 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 | 22 | 2016 |
| 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 | 21 | 2018 |
| Gaussian basis set of sextuple zeta quality for hydrogen through argon CT Campos, GA Ceolin, AC Neto, FE Jorge, FNN Pansini Chemical Physics Letters 516 (4-6), 125-130, 2011 | 20 | 2011 |
| A comprehensive study of the reduction of nitrate on natural FeTiO3: Photocatalysis and DFT calculations JE Silveira, AS de Souza, FNN Pansini, AR Ribeiro, WL Scopel, JA Zazo, ... Separation and Purification Technology 306, 122570, 2023 | 19 | 2023 |
| 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 | 18* | 2022 |
| Application of the unified singlet and triplet electron-pair extrapolation scheme with basis set rehierarchization to tensorial properties FNN Pansini, AC Neto, AJC Varandas The Journal of Physical Chemistry A 119 (7), 1208-1217, 2015 | 17 | 2015 |
| On the solvation model and infrared spectroscopy of liquid water FNN Pansini, AJC Varandas Chemical Physics Letters 801, 139739, 2022 | 15 | 2022 |
| Theoretical study of the electronic structure and electrical properties of Al-doped niobium clusters FNN Pansini, M de Campos, AC Neto, CS Sergio Chemical Physics 535, 110778, 2020 | 15 | 2020 |
| Hydrogen storage capacity of the niobium atom adsorbed on carbon and boron nitride planar nanoflakes CS Sergio, M De Campos, FNN Pansini International Journal of Hydrogen Energy 48 (22), 8189-8197, 2023 | 14 | 2023 |
| Effects of all-electron basis sets and the scalar relativistic corrections in the structure and electronic properties of niobium clusters FNN Pansini, AC Neto, M De Campos, RM De Aquino The Journal of Physical Chemistry A 121 (30), 5728-5734, 2017 | 14 | 2017 |
| Exploring the potential of α-Ge (1 1 1) monolayer in photocatalytic water splitting for hydrogen production VG Garcia, GJ Inacio, F Luciano Filho, LT Pacheco, FNN Pansini, ... FlatChem, 100753, 2024 | 10 | 2024 |
| The relationship between hydrogen storage capacity and 4d transition metal-carbon surface binding energy CS Sergio, FNN Pansini, M de Campos Chemical Physics Letters 846, 141338, 2024 | 9 | 2024 |
| Optimized structural data at the complete basis set limit via successive quadratic minimizations FNN Pansini, VC Mota, AJC Varandas The Journal of Physical Chemistry A 125 (50), 10657-10666, 2021 | 9 | 2021 |
| Electronic properties and hydrogen storage capacity of the α-Ge nanostructures L Fiorini Filho, ML Xavier, WS Paz, FNN Pansini International Journal of Hydrogen Energy 50, 1129-1137, 2024 | 8 | 2024 |
| 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 | 8 | 2021 |
| Topological line defects in hexagonal SiC monolayer WP Morais, GJ Inacio, RG Amorim, WS Paz, FNN Pansini, FAL de Souza Physical Chemistry Chemical Physics 25 (48), 33048-33055, 2023 | 7 | 2023 |
A. J. C. VarandasUniversidade de CoimbraVerified email at uc.pt
