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SBQT 2023

ISSN: 2965-5900
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Anais do Simpósio Brasileiro de Química Teórica
Proceedings of the XXII Brazilian Symposium on Theoretical Chemistry - Vol. 2 2023

ISSN: 2965-5900
  • English
  • Portuguese, Brazil
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University of São Paulo

Lucas Colucci Ducati

Also published on: SBQT 2021

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Papers 1
  • DFT Functional Dependence and Solvent Effects on the NMR J(Pt-Pt) Coupling Constants by Ab Initio Molecular Dynamics

    • OLIVEIRA, Pedro Paulo Rezende 1
    • BATISTA, Patrick Rodrigues 1
    • DUCATI, Lucas Colucci 1
    • 1 Department of Fundamental Chemistry, Institute of Chemistry, University of São Paulo, São Paulo, Brazil
    Vol 2, 2023 -
    165201
    Spectroscopy
    Pôster / Poster

Co-authors (2)

  • Pedro Paulo Rezende Oliveira

    1 publication

  • Patrick Rodrigues Batista

    1 publication

Publications in other proceedings

  • 20nmrmeeting

    QUADRUPOLAR RELAXATION OF DEUTERATED ETHYLAMMONIUM NITRATE IONIC LIQUID BY AB INITIO MOLECULAR DYNAMICS

  • 20nmrmeeting

    TRANS INFLUENCE AND 1JPtPt IN DINUCLEAR PLATINUM(III) COMPLEXES BY AB INITIO MOLECULAR DYNAMICS AND NATURAL LOCALIZED MOLECULAR ORBITALS

  • Jornada RM

    ESTUDO DE ACOPLAMENTOS SPIN-SPIN 4JFH E 3JHH VIA ESPAÇO E LIGAÇÃO UTILIZANDO DINÂMICA MOLECULAR E CÁLCULOS DFT

  • SBQT 2021

    Solvation effects on the p-Aminobenzoic Acid Protonation Dynamics by Ab Initio Molecular Dynamics

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