CV Lattes
Universidade de São Paulo (USP). Instituto de Química (IQ) (Institutional affiliation from the last research proposal) Birthplace: Brazil
Bachelor Degree in Molecular Sciences (a General Sciences undergraduation), University of São Paulo (2016).Master Degree in Sciences (Chemistry), University of São Paulo (2019).Doctorate Degree in Sciences (Chemistry), University of São Paulo (2024). Currently works as pedagogical supervisor in mathematics at Universidade Virtual do Estado de São Paulo. (Source: Lattes Curriculum)
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This work seeks to optimize density functionals for calculating indirect spin-spin scalar coupling constants for different types of atoms, setting the percentage of Hartree-Fock orbital exchange in order to obtain the best possible accuracy. The best functionals will be compared with SOPPA(CCSD) and SOPPA(CC2) levels of theory, which have good accuracy regardless the core type involved in…
| 1 / 1 | Completed scholarships in Brazil |
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