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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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Federal University of Rio de Janeiro

Milena de Aguiar Pereira

Also published on: SBQT 2023

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Papers 1Topics 1
  • Other

    Eficiência da base na qualidade dos resultados obtidos

    Publication: PREDICTING Pt-195 NMR CHEMICAL SHIFT IN Pt(II)-Sn(II) COMPLEXES WITH POTENTIAL CATALYSTIC APPLICATION

    Oi, Milena, parabéns pela apresentação e pelo seu trabalho! Muito interessante.

    Como o objetivo do seu trabalho é validar um protocolo computacional, você avaliou a influência de outras funções de base, além da NMR-DKH? Pergunto isso porque agora você tem outro centro metálico importante no sistema. 

    View discussion

Co-authors (3)

  • Hélio F. dos Santos

    9 publications

  • Diego Fernando da Silva Paschoal

    7 publications

  • Larissa Pereira Nogueira Machado

    3 publications

Publications in other proceedings

  • SBQT 2023

    Predicting Pt-195 NMR chemical shift in Pt(II)-Sn(II) complexes using the NMR-DKH basis sets

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