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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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Universidade Federal de Pernambuco - UFPE

Alfredo Mayall Simas

Also published on: SBQT 2021

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Papers 2
  • Decision trees for coordination chirality in metal complexes

    • MUNGUBA, Gabriel Henrique Lima 1
    • SILVA, Mateus 1
    • SILVA, Frederico 1
    • URQUIZA-CARVALHO, Gabriel 1
    • SIMAS, Alfredo Mayall 1
    • 1 Universidade Federal de Pernambuco - UFPE
    Vol 2, 2023 -
    163601
    Machine Learning/Artificial Intelligence
    Oral
  • Complex Build 1.1.0: From Lanthanides to Scandium and Yttrium with New Functionalities for Advanced Complex Design

    • MUNGUBA, Gabriel Henrique Lima 1
    • URQUIZA-CARVALHO, Gabriel 2
    • SILVA, Frederico 1
    • SIMAS, Alfredo Mayall 1
    • 1 Universidade Federal de Pernambuco - UFPE
    • 2 UNIVERSIDADE DE PERNAMBUCO
    Vol 2, 2023 -
    163999
    Development and/or implementation of Method/Theory
    Pôster / Poster

Co-authors (5)

  • Gabriel Henrique Lima Munguba

    2 publications

  • Gabriel Urquiza-Carvalho

    2 publications

  • Mateus Silva

    1 publication

  • Frederico Silva

    1 publication

  • Frederico Silva

    1 publication

Publications in other proceedings

  • 44ª RASBQ

    Multiplicidade de estereoisômeros e reconhecimento da quiralidade de coordenação em complexos de íons lantanídeos pelo software Complex Build

  • SBQT 2021

    An Uncomplicated but Effective Force Field for the Pre-optimization of Geometries of Metal Complexes for Quantum Chemical Calculations

  • SBQT 2021

    Starting Structures of Lanthanoid Complexes with Stereochemical Control for Molecular Modeling

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