| 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 | 84 | 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, 1-6, 2016 | 41 | 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 | 29 | 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 | 25 | 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 |
| 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 | 19 | 2011 |
| 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 |
| 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 |
| 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 | 11 | 2020 |
| 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 | 11 | 2017 |
| 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 | 8 | 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 | 8 | 2022 |
| 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 | 7 | 2023 |
| L. Filho, AR Ambrozio, J. Freitas and WL Scopel F de Souza, F Pansini Carbon 191, 374-383, 2022 | 6 | 2022 |
| 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 | 6 | 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 | 5 | 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 | 4 | 2021 |
| On the solvation model and infrared spectroscopy of liquid water FNN Pansini, AJC Varandas Chemical Physics Letters 801, 139739, 2022 | 3 | 2022 |
| Optimal basis sets for CBS extrapolation of the correlation energy: oVxZ and oV (x+ d) Z AJC Varandas, FNN Pansini The Journal of Chemical Physics 150 (15), 154106, 2019 | 3 | 2019 |
| Conjunto de bases gaussianas universal para Átomos de k até kr FNN PANSINI Master's thesis, Universidade Federal do Espírito Santo, 2013 | 3 | 2013 |
A. J. C. VarandasUniversidade de Coimbra在 uc.pt 的电子邮件经过验证
