Menu

Filtros : "Journal of Chemical Information and Modeling" "QUÍMICA TEÓRICA" Limpar

Filtros

Refine with date range

  • 1

1 - 4 (4 records)

  • Artigo de periodico

    Decoding Van der Waals Impact on Chirality Transfer in Perovskite Structures: Density Functional Theory Insights (2024)

    González, José E.; Besse, Rafael; Lima, Matheus P.; Silva, Juarez Lopes Ferreira da

    Source: Journal of Chemical Information and Modeling. Unidade: IQSC

    Subjects: ENERGIA, QUÍMICA TEÓRICA

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas

    • ABNT

      GONZÁLEZ, José E. et al. Decoding Van der Waals Impact on Chirality Transfer in Perovskite Structures: Density Functional Theory Insights. Journal of Chemical Information and Modeling, v. 64, n. 4, p. 1306–1318, 2024Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.3c01895. Acesso em: 09 nov. 2025.

    • APA

      González, J. E., Besse, R., Lima, M. P., & Silva, J. L. F. da. (2024). Decoding Van der Waals Impact on Chirality Transfer in Perovskite Structures: Density Functional Theory Insights. Journal of Chemical Information and Modeling, 64( 4), 1306–1318. doi:10.1021/acs.jcim.3c01895

    • NLM

      González JE, Besse R, Lima MP, Silva JLF da. Decoding Van der Waals Impact on Chirality Transfer in Perovskite Structures: Density Functional Theory Insights [Internet]. Journal of Chemical Information and Modeling. 2024 ;64( 4): 1306–1318.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.3c01895

    • Vancouver

      González JE, Besse R, Lima MP, Silva JLF da. Decoding Van der Waals Impact on Chirality Transfer in Perovskite Structures: Density Functional Theory Insights [Internet]. Journal of Chemical Information and Modeling. 2024 ;64( 4): 1306–1318.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.3c01895

  • Artigo de periodico-carta/editorial

    Guidelines for reporting molecular dynamics simulations in JCIM publications. [Editorial] (2023)

    Soares, Thereza A. ; Cournia, Zoe; Naidoo, Kevin J.; Amaro, Rommie E.; Wahab, Habibah A.; Merz, Kenneth

    Source: Journal of Chemical Information and Modeling. Unidade: FFCLRP

    Subjects: QUÍMICA TEÓRICA, MOLÉCULA, PESQUISA CIENTÍFICA

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas

    • ABNT

      SOARES, Thereza A. et al. Guidelines for reporting molecular dynamics simulations in JCIM publications. [Editorial]. Journal of Chemical Information and Modeling. Washington: Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, Universidade de São Paulo. Disponível em: https://doi.org/10.1021/acs.jcim.3c00599. Acesso em: 09 nov. 2025. , 2023

    • APA

      Soares, T. A., Cournia, Z., Naidoo, K. J., Amaro, R. E., Wahab, H. A., & Merz, K. (2023). Guidelines for reporting molecular dynamics simulations in JCIM publications. [Editorial]. Journal of Chemical Information and Modeling. Washington: Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, Universidade de São Paulo. doi:10.1021/acs.jcim.3c00599

    • NLM

      Soares TA, Cournia Z, Naidoo KJ, Amaro RE, Wahab HA, Merz K. Guidelines for reporting molecular dynamics simulations in JCIM publications. [Editorial] [Internet]. Journal of Chemical Information and Modeling. 2023 ; 63( 11): 3227-3229.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.3c00599

    • Vancouver

      Soares TA, Cournia Z, Naidoo KJ, Amaro RE, Wahab HA, Merz K. Guidelines for reporting molecular dynamics simulations in JCIM publications. [Editorial] [Internet]. Journal of Chemical Information and Modeling. 2023 ; 63( 11): 3227-3229.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.3c00599

  • Artigo de periodico-carta/editorial

    Celebrating diversity, equity, inclusion, and respect in computational and theoretical chemistry [Editorial] (2022)

    Cournia, Zoe; Soares, Thereza A. ; Wahab, Habibah A.; Amaro, Rommie E.

    Source: Journal of Chemical Information and Modeling. Unidade: FFCLRP

    Subjects: PERIÓDICOS CIENTÍFICOS, QUÍMICA TEÓRICA, CIÊNCIA

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas

    • ABNT

      COURNIA, Zoe et al. Celebrating diversity, equity, inclusion, and respect in computational and theoretical chemistry [Editorial]. Journal of Chemical Information and Modeling. Washington: Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, Universidade de São Paulo. Disponível em: https://doi.org/10.1021/acs.jcim.2c01543. Acesso em: 09 nov. 2025. , 2022

    • APA

      Cournia, Z., Soares, T. A., Wahab, H. A., & Amaro, R. E. (2022). Celebrating diversity, equity, inclusion, and respect in computational and theoretical chemistry [Editorial]. Journal of Chemical Information and Modeling. Washington: Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, Universidade de São Paulo. doi:10.1021/acs.jcim.2c01543

    • NLM

      Cournia Z, Soares TA, Wahab HA, Amaro RE. Celebrating diversity, equity, inclusion, and respect in computational and theoretical chemistry [Editorial] [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62( 24): 6287-6291.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.2c01543

    • Vancouver

      Cournia Z, Soares TA, Wahab HA, Amaro RE. Celebrating diversity, equity, inclusion, and respect in computational and theoretical chemistry [Editorial] [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62( 24): 6287-6291.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.2c01543

  • Artigo de periodico

    SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning (2022)

    Pinheiro, Gabriel A.; Silva, Juarez Lopes Ferreira da ; Quiles, Marcos Gonçalves

    Source: Journal of Chemical Information and Modeling. Unidade: IQSC

    Subjects: MODELAGEM MOLECULAR, MOLÉCULA, QUÍMICA TEÓRICA

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas

    • ABNT

      PINHEIRO, Gabriel A. e SILVA, Juarez Lopes Ferreira da e QUILES, Marcos Gonçalves. SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning. Journal of Chemical Information and Modeling, v. 62, n. 17, p. 3948–3960, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.2c00521. Acesso em: 09 nov. 2025.

    • APA

      Pinheiro, G. A., Silva, J. L. F. da, & Quiles, M. G. (2022). SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning. Journal of Chemical Information and Modeling, 62( 17), 3948–3960. doi:10.1021/acs.jcim.2c00521

    • NLM

      Pinheiro GA, Silva JLF da, Quiles MG. SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62( 17): 3948–3960.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.2c00521

    • Vancouver

      Pinheiro GA, Silva JLF da, Quiles MG. SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62( 17): 3948–3960.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.2c00521
  • 1

1 - 4 (4 records)

Digital Library of Intellectual Production of Universidade de São Paulo     2012 - 2025