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Filtros : "Variational prolapse" Limpar

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  • Artigo de periodico

    Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for francium through oganesson (2025)

    Dias, Anne Kéllen de Nazaré dos Reis ; Sousa, Julielson dos Santos ; Gusmão, Eriosvaldo Florentino ; Haiduke, Roberto Luiz Andrade

    Source: Theoretical Chemistry Accounts. Unidade: IQSC

    Subjects: FRÂNCIO, QUÍMICA TEÓRICA

    Disponível em 2026-03-29Acesso à fonteDOIHow to cite
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    • ABNT

      DIAS, Anne Kéllen de Nazaré dos Reis et al. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for francium through oganesson. Theoretical Chemistry Accounts, v. 144, 2025Tradução . . Disponível em: https://doi.org/10.1007/s00214-025-03180-x. Acesso em: 21 jan. 2026.

    • APA

      Dias, A. K. de N. dos R., Sousa, J. dos S., Gusmão, E. F., & Haiduke, R. L. A. (2025). Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for francium through oganesson. Theoretical Chemistry Accounts, 144. doi:10.1007/s00214-025-03180-x

    • NLM

      Dias AK de N dos R, Sousa J dos S, Gusmão EF, Haiduke RLA. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for francium through oganesson [Internet]. Theoretical Chemistry Accounts. 2025 ;144[citado 2026 jan. 21 ] Available from: https://doi.org/10.1007/s00214-025-03180-x

    • Vancouver

      Dias AK de N dos R, Sousa J dos S, Gusmão EF, Haiduke RLA. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for francium through oganesson [Internet]. Theoretical Chemistry Accounts. 2025 ;144[citado 2026 jan. 21 ] Available from: https://doi.org/10.1007/s00214-025-03180-x

  • Trabalho de evento

    Complete basis set extrapolations using the new relativistic prolapse-free Gaussian basis sets of the RPF-XZ family (X = 2, 3, and 4) (2024)

    Haiduke, Roberto Luiz Andrade

    Source: Livro de resumos. Conference titles: Simpósio de Estrutura Eletrônica & Dinâmica Molecular- SEEDMOL. Unidade: IQSC

    Subjects: QUÍMICA TEÓRICA, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA)

    Versão PublicadaHow to cite
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    • ABNT

      HAIDUKE, Roberto Luiz Andrade. Complete basis set extrapolations using the new relativistic prolapse-free Gaussian basis sets of the RPF-XZ family (X = 2, 3, and 4). 2024, Anais.. Goiás: Instituto de Química de São Carlos, Universidade de São Paulo, 2024. Disponível em: https://repositorio.usp.br/directbitstream/1c9de37f-c3aa-48fb-a897-b5beb1180ea6/P22195.pdf. Acesso em: 21 jan. 2026.

    • APA

      Haiduke, R. L. A. (2024). Complete basis set extrapolations using the new relativistic prolapse-free Gaussian basis sets of the RPF-XZ family (X = 2, 3, and 4). In Livro de resumos. Goiás: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://repositorio.usp.br/directbitstream/1c9de37f-c3aa-48fb-a897-b5beb1180ea6/P22195.pdf

    • NLM

      Haiduke RLA. Complete basis set extrapolations using the new relativistic prolapse-free Gaussian basis sets of the RPF-XZ family (X = 2, 3, and 4) [Internet]. Livro de resumos. 2024 ;[citado 2026 jan. 21 ] Available from: https://repositorio.usp.br/directbitstream/1c9de37f-c3aa-48fb-a897-b5beb1180ea6/P22195.pdf

    • Vancouver

      Haiduke RLA. Complete basis set extrapolations using the new relativistic prolapse-free Gaussian basis sets of the RPF-XZ family (X = 2, 3, and 4) [Internet]. Livro de resumos. 2024 ;[citado 2026 jan. 21 ] Available from: https://repositorio.usp.br/directbitstream/1c9de37f-c3aa-48fb-a897-b5beb1180ea6/P22195.pdf

  • Artigo de periodico

    Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon (2022)

    Gusmão, Eriosvaldo Florentino ; Haiduke, Roberto Luiz Andrade

    Source: Journal of Computational Chemistry. Unidade: IQSC

    Subjects: ESTRUTURA ELETRÔNICA, HIDROGÊNIO, XENÔNIO

    PrivadoAcesso à fonteDOIHow to cite
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    • ABNT

      GUSMÃO, Eriosvaldo Florentino e HAIDUKE, Roberto Luiz Andrade. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon. Journal of Computational Chemistry, p. 1-10, 2022Tradução . . Disponível em: https://doi.org/10.1002/jcc.26990. Acesso em: 21 jan. 2026.

    • APA

      Gusmão, E. F., & Haiduke, R. L. A. (2022). Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon. Journal of Computational Chemistry, 1-10. doi:10.1002/jcc.26990

    • NLM

      Gusmão EF, Haiduke RLA. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon [Internet]. Journal of Computational Chemistry. 2022 ;1-10.[citado 2026 jan. 21 ] Available from: https://doi.org/10.1002/jcc.26990

    • Vancouver

      Gusmão EF, Haiduke RLA. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon [Internet]. Journal of Computational Chemistry. 2022 ;1-10.[citado 2026 jan. 21 ] Available from: https://doi.org/10.1002/jcc.26990
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