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SBQT 2023

ISSN: 2965-5900
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SBQT 2023
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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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Follow the main updates and discussions about the papers published in SBQT 2023!

  • All tracks
  • Química Computacional
  • Estrutura Eletrônica
  • Dinâmica Molecular
  • Espectroscopia
  • Catálise Homogênea/Heterogênea
  • Aprendizado de Máquina/Inteligência Artificial
  • Bio- e Quimioinformática
  • Desenvolvimento e/ou Implementação de Método/Teoria
  • Teoria do Funcional de Densidade
  • Biofísica
  • Dinâmica Química
  • Reatividade Química
  • Sólidos e Superfícies
  • Métodos Semiempíricos
  • Química Quântica Relativística
  • Mecânica Estatística
  • Fase Gasosa
  • QSAR
  • Dinâmica Quântica
  • Líquidos e Efeitos de Solvente
All activities (8)
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1 person favorite the paper "Automatic generation of local vibrational mode parameters: from small to large Molecules, QM/MM systems, and lanthanide complex"

08/01/2024
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1 person favorite the paper "Estudo teórico do impacto da dimerização do complexo [Bi(dmit)2]- sobre o espectro Ultravioleta-Visível em solução de acetonitrila"

01/14/2024
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1 person favorite the paper "Modelagem Computacional do Mecanismo de Ação da Enzima Trans-sialidase do Parasita Trypanosoma cruzi"

12/19/2023
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1 person favorite the paper "Estudos de modelagem molecular na busca de produtos naturais como inibidores com atividade anti-esquistossomose"

10/31/2023
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1 person favorite the paper "Applications of machine learning to chemistry: new Hammett’s constants, sensitivity of energetic materials and organic photovoltaics"

10/31/2023
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1 person favorite the paper "Polarização de novos conjuntos relativísticos de funções de base Gaussianas sem prolapso variacional de qualidade duplo- e triplo-ζ: elementos dos blocos s e p"

10/30/2023
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1 person favorite the paper "Complexo de inclusão Cânfora@β-Ciclodextrina: Um estudo computacional "

10/30/2023
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1 person favorite the paper "Predicting first hyperpolarizability of new stilbene-quinones hybrids with potential technological application"

10/30/2023
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