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Filtros : "ACS Omega" "QUÍMICA QUÂNTICA" Removido: "Financiamento FAPEG" Limpar

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  • Artigo de periodico

    A Quantum Theory Atoms in Molecules Study about the Inductive Effect of Substituents in Methane Derivatives (2020)

    Macedo, Gabriel Kossaka; Haiduke, Roberto Luiz Andrade

    Fonte: ACS Omega. Unidade: IQSC

    Assuntos: QUÍMICA QUÂNTICA, MOLÉCULA, ÁTOMOS

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    • ABNT

      MACEDO, Gabriel Kossaka e HAIDUKE, Roberto Luiz Andrade. A Quantum Theory Atoms in Molecules Study about the Inductive Effect of Substituents in Methane Derivatives. ACS Omega, v. 5, p. 9041−9045 April 9, 2020Tradução . . Disponível em: https://doi.org/10.1021/acsomega.0c01081. Acesso em: 28 nov. 2025.

    • APA

      Macedo, G. K., & Haiduke, R. L. A. (2020). A Quantum Theory Atoms in Molecules Study about the Inductive Effect of Substituents in Methane Derivatives. ACS Omega, 5, 9041−9045 April 9. doi:10.1021/acsomega.0c01081

    • NLM

      Macedo GK, Haiduke RLA. A Quantum Theory Atoms in Molecules Study about the Inductive Effect of Substituents in Methane Derivatives [Internet]. ACS Omega. 2020 ; 5 9041−9045 April 9.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1021/acsomega.0c01081

    • Vancouver

      Macedo GK, Haiduke RLA. A Quantum Theory Atoms in Molecules Study about the Inductive Effect of Substituents in Methane Derivatives [Internet]. ACS Omega. 2020 ; 5 9041−9045 April 9.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1021/acsomega.0c01081

  • Artigo de periodico

    Exploration of chromone-based thiosemicarbazone derivatives: SC-XRD/DFT, spectral (IR, UV–Vis) characterization, and quantum chemical analysis (2020)

    Rabia Basri; Khalid, Muhammad ; Shafiq, Zahid ; Tahir, Muhammad Suleman; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam; Braga, Ataualpa Albert Carmo

    Fonte: ACS Omega. Unidade: IQ

    Assuntos: QUÍMICA QUÂNTICA, CROMO

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    • ABNT

      RABIA BASRI, et al. Exploration of chromone-based thiosemicarbazone derivatives: SC-XRD/DFT, spectral (IR, UV–Vis) characterization, and quantum chemical analysis. ACS Omega, v. 5, n. 46, p. 30176–30188, 2020Tradução . . Disponível em: https://doi.org/10.1021/acsomega.0c04653. Acesso em: 28 nov. 2025.

    • APA

      Rabia Basri,, Khalid, M., Shafiq, Z., Tahir, M. S., Khan, M. U., Tahir, M. N., et al. (2020). Exploration of chromone-based thiosemicarbazone derivatives: SC-XRD/DFT, spectral (IR, UV–Vis) characterization, and quantum chemical analysis. ACS Omega, 5( 46), 30176–30188. doi:10.1021/acsomega.0c04653

    • NLM

      Rabia Basri, Khalid M, Shafiq Z, Tahir MS, Khan MU, Tahir MN, Naseer MM, Braga AAC. Exploration of chromone-based thiosemicarbazone derivatives: SC-XRD/DFT, spectral (IR, UV–Vis) characterization, and quantum chemical analysis [Internet]. ACS Omega. 2020 ; 5( 46): 30176–30188.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1021/acsomega.0c04653

    • Vancouver

      Rabia Basri, Khalid M, Shafiq Z, Tahir MS, Khan MU, Tahir MN, Naseer MM, Braga AAC. Exploration of chromone-based thiosemicarbazone derivatives: SC-XRD/DFT, spectral (IR, UV–Vis) characterization, and quantum chemical analysis [Internet]. ACS Omega. 2020 ; 5( 46): 30176–30188.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1021/acsomega.0c04653

  • Artigo de periodico

    Accurate Rate Constants for the Forward and Reverse H + CO ↔ HCO Reactions at the High-Pressure Limit (2020)

    Vichietti, Rafael Mario ; Machado, Francisco Bolivar Correto ; Haiduke, Roberto Luiz Andrade

    Fonte: ACS Omega. Unidade: IQSC

    Assuntos: QUÍMICA QUÂNTICA, COMBUSTÃO

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    • ABNT

      VICHIETTI, Rafael Mario e MACHADO, Francisco Bolivar Correto e HAIDUKE, Roberto Luiz Andrade. Accurate Rate Constants for the Forward and Reverse H + CO ↔ HCO Reactions at the High-Pressure Limit. ACS Omega, v. 5, p. 23975-23982, 2020Tradução . . Disponível em: https://doi.org/10.1021/acsomega.0c03267. Acesso em: 28 nov. 2025.

    • APA

      Vichietti, R. M., Machado, F. B. C., & Haiduke, R. L. A. (2020). Accurate Rate Constants for the Forward and Reverse H + CO ↔ HCO Reactions at the High-Pressure Limit. ACS Omega, 5, 23975-23982. doi:10.1021/acsomega.0c03267

    • NLM

      Vichietti RM, Machado FBC, Haiduke RLA. Accurate Rate Constants for the Forward and Reverse H + CO ↔ HCO Reactions at the High-Pressure Limit [Internet]. ACS Omega. 2020 ; 5 23975-23982.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1021/acsomega.0c03267

    • Vancouver

      Vichietti RM, Machado FBC, Haiduke RLA. Accurate Rate Constants for the Forward and Reverse H + CO ↔ HCO Reactions at the High-Pressure Limit [Internet]. ACS Omega. 2020 ; 5 23975-23982.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1021/acsomega.0c03267

  • Artigo de periodico

    Computationally designed 1,2,4-triazolylidene-derived N-heterocyclic olefins for CO2 capture, activation, and storage (2017)

    Batista, Ana Paula de Lima; Oliveira Filho, Antonio Gustavo Sampaio de; Galembeck, Sérgio Emanuel

    Fonte: ACS Omega. Unidade: FFCLRP

    Assuntos: DIÓXIDO DE CARBONO, HIDROCARBONOS, QUÍMICA QUÂNTICA

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    • ABNT

      BATISTA, Ana Paula de Lima e OLIVEIRA FILHO, Antonio Gustavo Sampaio de e GALEMBECK, Sérgio Emanuel. Computationally designed 1,2,4-triazolylidene-derived N-heterocyclic olefins for CO2 capture, activation, and storage. ACS Omega, v. 2, p. 299-307, 2017Tradução . . Disponível em: https://doi.org/10.1021/acsomega.6b00411. Acesso em: 28 nov. 2025.

    • APA

      Batista, A. P. de L., Oliveira Filho, A. G. S. de, & Galembeck, S. E. (2017). Computationally designed 1,2,4-triazolylidene-derived N-heterocyclic olefins for CO2 capture, activation, and storage. ACS Omega, 2, 299-307. doi:10.1021/acsomega.6b00411

    • NLM

      Batista AP de L, Oliveira Filho AGS de, Galembeck SE. Computationally designed 1,2,4-triazolylidene-derived N-heterocyclic olefins for CO2 capture, activation, and storage [Internet]. ACS Omega. 2017 ; 2 299-307.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1021/acsomega.6b00411

    • Vancouver

      Batista AP de L, Oliveira Filho AGS de, Galembeck SE. Computationally designed 1,2,4-triazolylidene-derived N-heterocyclic olefins for CO2 capture, activation, and storage [Internet]. ACS Omega. 2017 ; 2 299-307.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1021/acsomega.6b00411
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