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Luis Paulo Mezzina Freitas
Luis Paulo Mezzina Freitas
Sao Paulo State University
Chemical physics
Molecular dynamics
Materials science
HOMO/LUMO
Molecular orbital
2
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Steric and Electrostatic Effects on the Diffusion of CH4/CH3OH in Copper-Exchanged Zeolites: Insights from Enhanced Sampling Molecular Dynamics and Free Energy Calculations.
2021
Langmuir
Luis Paulo Mezzina Freitas
Anderson Aparecido do Espírito Santo
Tuanan C. Lourenço
Juarez L. F. Da Silva
Gustavo Troiano Feliciano
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Atomic and Electronic Structure of Pilus from Geobacter sulfurreducens through QM/MM Calculations: Evidence for Hole Transfer in Aromatic Residues.
2021
Journal of Physical Chemistry B
Luis Paulo Mezzina Freitas
Gustavo Troiano Feliciano
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