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SBQT 2021

ISSN: 2965-5900
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Anais do Simpósio Brasileiro de Química Teórica
Proceedings of the XXI Brazilian Symposium on Theoretical Chemistry - Vol. 1 2021

ISSN: 2965-5900
  • English
  • Portuguese, Brazil
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Universidade Federal do ABC

Mauricio D. Coutinho-Neto

Also published on: SBQT 2023

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Papers 5Topics 1
  • Other

    Delta learning?

    Publication: Estimando a energia full CI a partir da distância entre a função de onda coupled cluster e os determinantes de Slater

    Otimo trabalho Guilherme! Fiquei pensando se voce consegue relacionar o overlap a I'm Delta learning na energia.

    View discussion

Co-authors (13)

  • James Almeida

    2 publications

  • Márcio Sampaio Gomes Filho

    1 publication

  • Aline Pereira

    1 publication

  • Luana Pedroza

    1 publication

  • Gustavo Feliciano

    1 publication

  • Raissa Lohanna Gomes Quintino Corrêa

    1 publication

  • Kleber Thiago de Oliveira

    1 publication

  • Paula Homem-de-Mello

    1 publication

  • André Luís Pesquero de Melo

    1 publication

  • PEDRO

    1 publication

  • Wendel A. Alves

    1 publication

  • Andrea M. Aguilar

    1 publication

  • LUCAS BANDEIRA

    1 publication

Publications in other proceedings

  • SBQT 2023

    Proline containing lipopeptide modelling with Hybrid Particle-field: From parameter optimization to investigating experimental data

  • SBQT 2023

    A theoretical evaluation of the redox activity on ATCUN and XH metallic peptides

  • SBBf 2023

    Proline containing lipopeptides aggregates as weak acids: Insights from Constant pH molecular dynamics

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