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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), 224113, 2014
752014
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), 1-6, 2016
282016
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
252015
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
232015
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
172011
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
162015
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
152016
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
132018
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
82017
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
72020
Conjunto de bases gaussianas universal para Átomos de k até kr
FNN Pansini
Master's thesis, Universidade Federal do Espírito Santo, 2013
32013
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
22021
Optimal diffuse augmented atomic basis sets for extrapolation of the correlation energy
AJC Varandas, FNN Pansini
International Journal of Quantum Chemistry 120 (7), e26135, 2020
22020
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
22019
On the solvation model and infrared spectroscopy of liquid water
FNN Pansini, AJC Varandas
Chemical Physics Letters, 139739, 2022
12022
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
12022
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
12021
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, 122570, 2022
2022
Re-Hierarquização e Extrapolações para o Limite do Conjunto de Base Completo
FNN Pansini
Tese de doutorado, 113, 2015
2015
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Articles 1–19