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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 de São Paulo, Instituto de Química, Departamento de Química Fundamental

Gabriel Fernando de Melo

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Papers 1Topics 3
  • Other

    Application

    Publication: Describing the spectra and electronic structure of the SI+ monocation

    Hello Gabriel. Very nice presentation.

    I would like to know about some direct applications that your work can be addressed. For instance, you can tell me an improvement to what kind of industry or something like it.

    Thank you :-)

    View discussion
  • Other

    Comparação com outras moléculas isovalentes

    Publication: Describing the spectra and electronic structure of the SI+ monocation

    Quais as principais diferenças os cátions isovalentes SF+, SCl+ e SBr+?

    Você poderia afirmar que a acurácia da sua metodologia, além de concordar com resultados experimentais existentes, seus resultados são competitivos com experimentais? 

    Você chegou a comprar além dos resultados com e sem os efeitos spin-orbita, a difereça da correlação caroço-valência e efeitos relativísticos?

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  • Other

    Sobre potenciais de ionização

    Publication: Describing the spectra and electronic structure of the SI+ monocation

    Olá, Gabriel. Parabéns pelo trabalho. Tenho uma pergunta sobre os cálculos de ionização:

    Como você calcula os potenciais de ionização e intensidades? As mesmas curvas foram obtidas para as espécies neutras?

    Obrigado!

    View discussion

Co-authors (1)

  • Fernando Ornellas

    2 publications

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