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SBQT 2021

ISSN: 2965-5900
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SBQT 2021
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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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  • All tracks
  • Sólidos e Superfícies
  • Teoria do Funcional de Densidade
  • Desenvolvimento e/ou Implementação de Método/Teoria
  • Química Computacional
  • Bio- e Quimioinformática
  • Catálise Homogênea/Heterogênea
  • Dinâmica Molecular
  • Estrutura Eletrônica
  • Espectroscopia
  • Reatividade Química
  • Fase Gasosa
  • Dinâmica Química
  • QSAR
  • Aprendizado de Máquina/Inteligência Artificial
  • Dinâmica Quântica
  • Métodos Semiempíricos
  • Mecânica Estatística
  • Métodos Multireferência
  • Biofísica
  • Líquidos e Efeitos de Solvente
All activities (4)

2 persons favorite the paper "Advances on Active Learning for Efficient Global Optimization of Atomic Clusters"

11/09/2021
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2 persons favorite the paper "How to use geometry to optimise the Hartree-Fock wave function"

11/07/2021
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2 persons favorite the paper "Estimando a energia full CI a partir da distância entre a função de onda coupled cluster e os determinantes de Slater"

10/28/2021
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4 persons favorite the paper "OLEDs de Alq3 dopado com DCM2: desvio para o vermelho causado pelo efeito stark não linear e pela difusão de excitons mediada por Förster"

10/28/2021
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