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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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Fluminense Federal University

Luciano T. Costa

Also published on: SBQT 2023

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Papers 2Topics 1
  • Other

    Ligação na extremidade

    Publication: Theoretical study of the interaction between pure and N-substituted coronene dimers with CO2.

    Kelly,

     

    Parabéns pelo trabalho apresentado e por sua jornada. Uma questão, como poderia caracterizar essa suposta formação de ligação

    na extremidade em um dos agregados?

    Pensou em simular o sistema por Dinâmica Molecular. Seria bem interessante.

    View discussion

Co-authors (6)

  • Wagner Batista de Almeida

    3 publications

  • Haroldo Candal da Silva

    2 publications

  • Andrew Paluch

    1 publication

  • Gloria Maria Castañeda-Valencia

    1 publication

  • Isabella Alvim Guedes

    1 publication

  • Laurent Dardenne

    1 publication

Publications in other proceedings

  • BMIC 2026

    Role of Functionalized Graphene materials in Adsorption of SO2 and SO3: A Quantum DFT approach

  • BMIC 2026

    IONIC LIQUID INDUCED STRUCTURAL TRANSFORMATION IN A COPPER-BASED MOF SYNTHESIS: EXPERIMENTAL AND DFT STUDY

  • BMIC 2026

    Facile modification of multi-resonance acceptors and donors in intramolecular TSCT-TADF emitters for OLEDs: a computational study

  • BMIC 2026

    lmp2gro: A Python tool to facilitate GROMACS simulations on periodic systems

  • SBQT 2023

    Molecular dynamics simulations of organic-aqueous interfaces under influence of organophosphorus extractants

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