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F.N.N. Pansini

Observed names: F. N. N. Pansini, Fernando Nespoli Nassar Pansini, Fernando N. N. Pansini, Fernando N.N. Pansini
ORCID: 0000-0001-8984-686X
Observed ORCID: 0000-0001-8984-686X
OpenAlex ID: A5030395045
Narrowing the error in electron correlation calculations by basis set re-hierarchization and use of the unified singlet and triplet electron-pair extrapolation scheme: Application to a test set of 106 systems
2014 · A. J. C. Varandas, F. N. N. Pansini · The Journal of Chemical Physics · 96
Extrapolation of Hartree–Fock and multiconfiguration self-consistent-field energies to the complete basis set limit
2016 · F. N. N. Pansini, A. C. Neto, et al. · Theoretical Chemistry Accounts · 57
On the performance of various hierarchized bases in extrapolating the correlation energy to the complete basis set limit
2015 · F.N.N. Pansini, A.C. Neto, et al. · Chemical Physics Letters · 40
A comprehensive study of the reduction of nitrate on natural FeTiO3: Photocatalysis and DFT calculations
2022 · Jefferson E. Silveira, Aramille S. de Souza, et al. · Separation and Purification Technology · 26
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Toward a unified single-parameter extrapolation scheme for the correlation energy: Systems formed by atoms of hydrogen through neon
2015 · F.N.N. Pansini, A.J.C. Varandas · Chemical Physics Letters · 25
Molecules under external electric field: On the changes in the electronic structure and validity limits of the theoretical predictions
2018 · F. N. N. Pansini, F. A. L. de Souza, et al. · Journal of Computational Chemistry · 19
Hydrogen storage capacity of the niobium atom adsorbed on carbon and boron nitride planar nanoflakes
2022 · C.S. Sergio, M. de Campos, et al. · International Journal of Hydrogen Energy · 18
Gaussian basis set of sextuple zeta quality for hydrogen through argon
2011 · C.T. Campos, G.A. Ceolin, et al. · Chemical Physics Letters · 17
NMR spectral parameters of open- and closed-shell graphene nanoflakes: Orbital and hyperfine contributions
2022 · F.A.L. de Souza, F.N.N. Pansini, et al. · Carbon · 16
Theoretical study of the electronic structure and electrical properties of Al-doped niobium clusters
2020 · F.N.N. Pansini, M. de Campos, et al. · Chemical Physics · 16
Trends in the Spin States and Mean Static Dipole Polarizability of the Group VIIIA Metallocenes
2016 · Fernando N. N. Pansini, Fábio A. L. de Souza · The Journal of Physical Chemistry A · 16
Application of the Unified Singlet and Triplet Electron-Pair Extrapolation Scheme with Basis Set Rehierarchization to Tensorial Properties
2015 · F. N. N. Pansini, A. C. Neto, et al. · The Journal of Physical Chemistry A · 16
On the solvation model and infrared spectroscopy of liquid water
2022 · Fernando N.N. Pansini, António J.C. Varandas · Chemical Physics Letters · 14
Exploring the potential of α-Ge(1 1 1) monolayer in photocatalytic water splitting for hydrogen production
2024 · Vinícius G. Garcia, Guilherme J. Inacio, et al. · FlatChem · 12
The relationship between hydrogen storage capacity and 4d transition metal-carbon surface binding energy
2024 · C.S. Sergio, F.N.N. Pansini, et al. · Chemical Physics Letters · 12
Electronic properties and hydrogen storage capacity of the α-Ge nanostructures
2023 · L. Fiorini Filho, M.L. Xavier, et al. · International Journal of Hydrogen Energy · 12
Optimized Structural Data at the Complete Basis Set Limit via Successive Quadratic Minimizations
2021 · F. N. N. Pansini, V. C. Mota, et al. · The Journal of Physical Chemistry A · 10
Size and shape effects on the stability, electronic structure, and Raman spectroscopy of (SrO)n nanoclusters
2021 · Luciano F. Filho, Fernando N. N. Pansini, et al. · International Journal of Quantum Chemistry · 10
Effects of All-Electron Basis Sets and the Scalar Relativistic Corrections in the Structure and Electronic Properties of Niobium Clusters
2017 · F. N. N. Pansini, A. C. Neto, et al. · The Journal of Physical Chemistry A · 10
Topological line defects in hexagonal SiC monolayer
2023 · Wallace P. Morais, Guilherme J. Inacio, et al. · Physical Chemistry Chemical Physics · 8
CO2 Reduction Reactivity on the SiC Monolayer with Doped Topological Defects
2025 · Wallace P. Morais, Guilherme J. Inacio, et al. · Energy & Fuels · 7
Linear and cyclic (HCN) n clusters: A DFT study of IR and Raman spectra
2023 · D.P. Freitas, F.N.N. Pansini, et al. · Chemical Physics Letters · 6
Spin state engineering of triangulene graphene embedded in h-BN nanoflake
2023 · L. Fiorini Filho, C.J. Terroso, et al. · Carbon · 6
Magnetic Moment and Spin-State Transitions in Twisted Graphene Nanostructures
2025 · F. N. N. Pansini, F. A. L. de Souza, et al. · The Journal of Physical Chemistry Letters · 5
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Hydrogen-designed spin-states of 2D silicon carbide and graphene nanostructures
2024 · L. Fiorini Filho, W. P. Morais, et al. · Physical Chemistry Chemical Physics · 5
Works count: 36
Citation count: 491
H-index: 13
I10-index: 19
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