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Fernando N. N. Pansini
Fernando N. N. Pansini
Other namesF. N. N. Pansini
UNIVERSIDADE FEDERAL DO ESPÍRITO SANTO, UFES
Verified email at ufes.br
Title
Cited by
Cited by
Year
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
832014
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
402016
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
292015
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
252015
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
222016
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
192011
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
182018
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
172015
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
112020
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
112017
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
82022
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
72023
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
72023
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
62021
L. Filho, AR Ambrozio, J. Freitas and WL Scopel
F de Souza, F Pansini
Carbon 191, 374-383, 2022
52022
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
42024
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
42021
On the solvation model and infrared spectroscopy of liquid water
FNN Pansini, AJC Varandas
Chemical Physics Letters 801, 139739, 2022
32022
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
32019
Conjunto de bases gaussianas universal para Átomos de k até kr
FNN PANSINI
Master's thesis, Universidade Federal do Espírito Santo, 2013
32013
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Articles 1–20