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Filtros : "COMPOSTOS ORGÂNICOS" "Journal of Molecular Structure" Removido: "IFSC" Limpar

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1 - 9 (9 records)

  • Artigo de periodico

    Spectroscopic characterization and quantum-chemical analysis of hydrazinyl thiazol-4(5H)-one functionalized materials to predict their key electronic and non-linear optical behavior (2023)

    Mehmood, Hasnain; Akhtar, Tashfeen ; Haroon, Muhammad; Khalid, Muhammad; Braga, Ataualpa Albert Carmo ; Woodward, Simon; Alshehri, Saad M; Asghar, Muhammad Adnan

    Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: ESPECTROSCOPIA, COMPOSTOS ORGÂNICOS

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    • ABNT

      MEHMOOD, Hasnain et al. Spectroscopic characterization and quantum-chemical analysis of hydrazinyl thiazol-4(5H)-one functionalized materials to predict their key electronic and non-linear optical behavior. Journal of Molecular Structure, v. 1288, p. 1-13 art. 135798, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.135798. Acesso em: 27 nov. 2025.

    • APA

      Mehmood, H., Akhtar, T., Haroon, M., Khalid, M., Braga, A. A. C., Woodward, S., et al. (2023). Spectroscopic characterization and quantum-chemical analysis of hydrazinyl thiazol-4(5H)-one functionalized materials to predict their key electronic and non-linear optical behavior. Journal of Molecular Structure, 1288, 1-13 art. 135798. doi:10.1016/j.molstruc.2023.135798

    • NLM

      Mehmood H, Akhtar T, Haroon M, Khalid M, Braga AAC, Woodward S, Alshehri SM, Asghar MA. Spectroscopic characterization and quantum-chemical analysis of hydrazinyl thiazol-4(5H)-one functionalized materials to predict their key electronic and non-linear optical behavior [Internet]. Journal of Molecular Structure. 2023 ; 1288 1-13 art. 135798.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135798

    • Vancouver

      Mehmood H, Akhtar T, Haroon M, Khalid M, Braga AAC, Woodward S, Alshehri SM, Asghar MA. Spectroscopic characterization and quantum-chemical analysis of hydrazinyl thiazol-4(5H)-one functionalized materials to predict their key electronic and non-linear optical behavior [Internet]. Journal of Molecular Structure. 2023 ; 1288 1-13 art. 135798.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135798

  • Artigo de periodico

    Experimental and quantum chemical approaches for Hydrazide-based crystalline organic chromophores: synthesis, SC-XRD, spectroscopic and nonlinear optical properties (2023)

    Kausar, Naghmana ; Murtaza, Shahzad ; Khalid, Muhammad; Shoukat, Uzma; Asad, Mehwish; Arshad, Muhammad Nadeem ; Asiri, Abdullah M ; Braga, Ataualpa Albert Carmo

    Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: COMPOSTOS ORGÂNICOS, QUÍMICA QUÂNTICA

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    • ABNT

      KAUSAR, Naghmana et al. Experimental and quantum chemical approaches for Hydrazide-based crystalline organic chromophores: synthesis, SC-XRD, spectroscopic and nonlinear optical properties. Journal of Molecular Structure, v. 1272, p. 1-14 art. 134208, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2022.134208. Acesso em: 27 nov. 2025.

    • APA

      Kausar, N., Murtaza, S., Khalid, M., Shoukat, U., Asad, M., Arshad, M. N., et al. (2023). Experimental and quantum chemical approaches for Hydrazide-based crystalline organic chromophores: synthesis, SC-XRD, spectroscopic and nonlinear optical properties. Journal of Molecular Structure, 1272, 1-14 art. 134208. doi:10.1016/j.molstruc.2022.134208

    • NLM

      Kausar N, Murtaza S, Khalid M, Shoukat U, Asad M, Arshad MN, Asiri AM, Braga AAC. Experimental and quantum chemical approaches for Hydrazide-based crystalline organic chromophores: synthesis, SC-XRD, spectroscopic and nonlinear optical properties [Internet]. Journal of Molecular Structure. 2023 ; 1272 1-14 art. 134208.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134208

    • Vancouver

      Kausar N, Murtaza S, Khalid M, Shoukat U, Asad M, Arshad MN, Asiri AM, Braga AAC. Experimental and quantum chemical approaches for Hydrazide-based crystalline organic chromophores: synthesis, SC-XRD, spectroscopic and nonlinear optical properties [Internet]. Journal of Molecular Structure. 2023 ; 1272 1-14 art. 134208.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134208

  • Artigo de periodico

    A facile synthesis and structural elucidation for furfural based chromophores: prediction of linear and nonlinear optical properties (2022)

    Jawaria, Rifat; Khalid, Muhammad; Khan, Jallat; Khan, Muhammad Usman ; Braga, Ataualpa Albert Carmo ; Zahoor, Sidra; Alam, Mohammed Mujahid ; Imran, Muhammad

    Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: COMPOSTOS ORGÂNICOS, ESPECTROSCOPIA

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    • ABNT

      JAWARIA, Rifat et al. A facile synthesis and structural elucidation for furfural based chromophores: prediction of linear and nonlinear optical properties. Journal of Molecular Structure, v. 1249, p. 1-10 art. 131543, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.131543. Acesso em: 27 nov. 2025.

    • APA

      Jawaria, R., Khalid, M., Khan, J., Khan, M. U., Braga, A. A. C., Zahoor, S., et al. (2022). A facile synthesis and structural elucidation for furfural based chromophores: prediction of linear and nonlinear optical properties. Journal of Molecular Structure, 1249, 1-10 art. 131543. doi:10.1016/j.molstruc.2021.131543

    • NLM

      Jawaria R, Khalid M, Khan J, Khan MU, Braga AAC, Zahoor S, Alam MM, Imran M. A facile synthesis and structural elucidation for furfural based chromophores: prediction of linear and nonlinear optical properties [Internet]. Journal of Molecular Structure. 2022 ; 1249 1-10 art. 131543.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131543

    • Vancouver

      Jawaria R, Khalid M, Khan J, Khan MU, Braga AAC, Zahoor S, Alam MM, Imran M. A facile synthesis and structural elucidation for furfural based chromophores: prediction of linear and nonlinear optical properties [Internet]. Journal of Molecular Structure. 2022 ; 1249 1-10 art. 131543.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131543

  • Artigo de periodico

    Software-assisted methodology for complete assignment of 1H and 13C NMR data of poorly functionalized molecules: the case of the chemical marker diterpene ent‑copalic acid (2021)

    Ferreira, Alexsandro Eurípedes; Rocha, Ana Carolina Ferreira Soares; Bastos, Jairo Kenupp ; Heleno, Vladimir Constantino Gomes

    Source: Journal of Molecular Structure. Unidade: FCFRP

    Subjects: COMPOSTOS ORGÂNICOS, ANTI-INFLAMATÓRIOS, RESSONÂNCIA MAGNÉTICA NUCLEAR

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    • ABNT

      FERREIRA, Alexsandro Eurípedes et al. Software-assisted methodology for complete assignment of 1H and 13C NMR data of poorly functionalized molecules: the case of the chemical marker diterpene ent‑copalic acid. Journal of Molecular Structure, v. 1228, p. 1-9, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2020.129439. Acesso em: 27 nov. 2025.

    • APA

      Ferreira, A. E., Rocha, A. C. F. S., Bastos, J. K., & Heleno, V. C. G. (2021). Software-assisted methodology for complete assignment of 1H and 13C NMR data of poorly functionalized molecules: the case of the chemical marker diterpene ent‑copalic acid. Journal of Molecular Structure, 1228, 1-9. doi:10.1016/j.molstruc.2020.129439

    • NLM

      Ferreira AE, Rocha ACFS, Bastos JK, Heleno VCG. Software-assisted methodology for complete assignment of 1H and 13C NMR data of poorly functionalized molecules: the case of the chemical marker diterpene ent‑copalic acid [Internet]. Journal of Molecular Structure. 2021 ; 1228 1-9.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129439

    • Vancouver

      Ferreira AE, Rocha ACFS, Bastos JK, Heleno VCG. Software-assisted methodology for complete assignment of 1H and 13C NMR data of poorly functionalized molecules: the case of the chemical marker diterpene ent‑copalic acid [Internet]. Journal of Molecular Structure. 2021 ; 1228 1-9.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129439

  • Artigo de periodico

    Recovery of acetophenones from acetophenone hydrazones using ultraviolet radiation and chlorinated solvents: an experimental and theoretical investigation (2020)

    Martins, Danilo Eduardo; Madeira, Rafael Martinez; Fernandes, Cleverton S.; Galembeck, Sérgio Emanuel ; Basso, Ernani A.; Pontes, Rodrigo M.

    Source: Journal of Molecular Structure. Unidade: FFCLRP

    Subjects: COMPOSTOS ORGÂNICOS, IRRADIAÇÃO

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    • ABNT

      MARTINS, Danilo Eduardo et al. Recovery of acetophenones from acetophenone hydrazones using ultraviolet radiation and chlorinated solvents: an experimental and theoretical investigation. Journal of Molecular Structure, v. 1201, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2019.127209. Acesso em: 27 nov. 2025.

    • APA

      Martins, D. E., Madeira, R. M., Fernandes, C. S., Galembeck, S. E., Basso, E. A., & Pontes, R. M. (2020). Recovery of acetophenones from acetophenone hydrazones using ultraviolet radiation and chlorinated solvents: an experimental and theoretical investigation. Journal of Molecular Structure, 1201. doi:10.1016/j.molstruc.2019.127209

    • NLM

      Martins DE, Madeira RM, Fernandes CS, Galembeck SE, Basso EA, Pontes RM. Recovery of acetophenones from acetophenone hydrazones using ultraviolet radiation and chlorinated solvents: an experimental and theoretical investigation [Internet]. Journal of Molecular Structure. 2020 ; 1201[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127209

    • Vancouver

      Martins DE, Madeira RM, Fernandes CS, Galembeck SE, Basso EA, Pontes RM. Recovery of acetophenones from acetophenone hydrazones using ultraviolet radiation and chlorinated solvents: an experimental and theoretical investigation [Internet]. Journal of Molecular Structure. 2020 ; 1201[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127209

  • Artigo de periodico

    Influence of Co (III) and Ru (III) ion coordination on the accessibility of different lapachol oxidation states (2019)

    Adorno, Saulo Ramos; Franco, Lilian Pereira; Biazzotto, Juliana Cristina; Negri, Laísa Bonafim; Velozo, Eudes da Silva; Ueno, Leonardo Tsuyoshi; Silva, Roberto Santana da ; Lima, Renata Galvão de

    Source: Journal of Molecular Structure. Unidade: FCFRP

    Subjects: RUTÊNIO, COBALTO, COMPOSTOS ORGÂNICOS, ÁTOMOS

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    • ABNT

      ADORNO, Saulo Ramos et al. Influence of Co (III) and Ru (III) ion coordination on the accessibility of different lapachol oxidation states. Journal of Molecular Structure, v. 1176, p. 157-164, 2019Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2018.08.078. Acesso em: 27 nov. 2025.

    • APA

      Adorno, S. R., Franco, L. P., Biazzotto, J. C., Negri, L. B., Velozo, E. da S., Ueno, L. T., et al. (2019). Influence of Co (III) and Ru (III) ion coordination on the accessibility of different lapachol oxidation states. Journal of Molecular Structure, 1176, 157-164. doi:10.1016/j.molstruc.2018.08.078

    • NLM

      Adorno SR, Franco LP, Biazzotto JC, Negri LB, Velozo E da S, Ueno LT, Silva RS da, Lima RG de. Influence of Co (III) and Ru (III) ion coordination on the accessibility of different lapachol oxidation states [Internet]. Journal of Molecular Structure. 2019 ; 1176 157-164.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2018.08.078

    • Vancouver

      Adorno SR, Franco LP, Biazzotto JC, Negri LB, Velozo E da S, Ueno LT, Silva RS da, Lima RG de. Influence of Co (III) and Ru (III) ion coordination on the accessibility of different lapachol oxidation states [Internet]. Journal of Molecular Structure. 2019 ; 1176 157-164.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2018.08.078

  • Artigo de periodico

    Synthesis, X-ray crystallographic, spectroscopic and computational studies of aminothiazole derivatives (2017)

    Adeel, Muhammad; Braga, Ataualpa Albert Carmo ; Tahir, Muhammad Nawaz; Haq, Fazal; khalid, Muhammad; Halim, Mohammad A

    Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: ESPECTROSCOPIA RAMAN, COMPOSTOS ORGÂNICOS

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    • ABNT

      ADEEL, Muhammad et al. Synthesis, X-ray crystallographic, spectroscopic and computational studies of aminothiazole derivatives. Journal of Molecular Structure, v. 1131, p. 136-148, 2017Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2016.11.046. Acesso em: 27 nov. 2025.

    • APA

      Adeel, M., Braga, A. A. C., Tahir, M. N., Haq, F., khalid, M., & Halim, M. A. (2017). Synthesis, X-ray crystallographic, spectroscopic and computational studies of aminothiazole derivatives. Journal of Molecular Structure, 1131, 136-148. doi:10.1016/j.molstruc.2016.11.046

    • NLM

      Adeel M, Braga AAC, Tahir MN, Haq F, khalid M, Halim MA. Synthesis, X-ray crystallographic, spectroscopic and computational studies of aminothiazole derivatives [Internet]. Journal of Molecular Structure. 2017 ; 1131 136-148.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2016.11.046

    • Vancouver

      Adeel M, Braga AAC, Tahir MN, Haq F, khalid M, Halim MA. Synthesis, X-ray crystallographic, spectroscopic and computational studies of aminothiazole derivatives [Internet]. Journal of Molecular Structure. 2017 ; 1131 136-148.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2016.11.046

  • Artigo de periodico

    Conformation of some 2,4,6-trisubstitued pyridinium salts (2017)

    Luchese, Angélica Maria; Di Vitta, Cláudio ; Vilcachagua, Janaina Dantas ; Nakagawa, Juliana Mino; Franco, Maurício Portiolli; Braga, Ataualpa Albert Carmo ; Marzorati, Liliana

    Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: SAIS, COMPOSTOS ORGÂNICOS

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    • ABNT

      LUCHESE, Angélica Maria et al. Conformation of some 2,4,6-trisubstitued pyridinium salts. Journal of Molecular Structure, v. 1149, p. 640-644, 2017Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2017.08.035. Acesso em: 27 nov. 2025.

    • APA

      Luchese, A. M., Di Vitta, C., Vilcachagua, J. D., Nakagawa, J. M., Franco, M. P., Braga, A. A. C., & Marzorati, L. (2017). Conformation of some 2,4,6-trisubstitued pyridinium salts. Journal of Molecular Structure, 1149, 640-644. doi:10.1016/j.molstruc.2017.08.035

    • NLM

      Luchese AM, Di Vitta C, Vilcachagua JD, Nakagawa JM, Franco MP, Braga AAC, Marzorati L. Conformation of some 2,4,6-trisubstitued pyridinium salts [Internet]. Journal of Molecular Structure. 2017 ; 1149 640-644.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2017.08.035

    • Vancouver

      Luchese AM, Di Vitta C, Vilcachagua JD, Nakagawa JM, Franco MP, Braga AAC, Marzorati L. Conformation of some 2,4,6-trisubstitued pyridinium salts [Internet]. Journal of Molecular Structure. 2017 ; 1149 640-644.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2017.08.035

  • Artigo de periodico

    Assignment of NMR data and relative stereochemistry determination of paraconic acid derivatives (2013)

    Rodrigues, Shirley Muniz Machado; Nardini, Viviani; Moral, Raphael Fernando; Constantino, Maurício Gomes ; Silva, Gil Valdo José da

    Source: Journal of Molecular Structure. Unidades: FCFRP, FFCLRP

    Subjects: ESTEREOQUÍMICA (DETERMINAÇÃO), IMAGEM POR RESSONÂNCIA MAGNÉTICA, COMPOSTOS ORGÂNICOS

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      RODRIGUES, Shirley Muniz Machado et al. Assignment of NMR data and relative stereochemistry determination of paraconic acid derivatives. Journal of Molecular Structure, v. 1053, p. 100-105, 2013Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2013.09.010. Acesso em: 27 nov. 2025.

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      Rodrigues, S. M. M., Nardini, V., Moral, R. F., Constantino, M. G., & Silva, G. V. J. da. (2013). Assignment of NMR data and relative stereochemistry determination of paraconic acid derivatives. Journal of Molecular Structure, 1053, 100-105. doi:10.1016/j.molstruc.2013.09.010

    • NLM

      Rodrigues SMM, Nardini V, Moral RF, Constantino MG, Silva GVJ da. Assignment of NMR data and relative stereochemistry determination of paraconic acid derivatives [Internet]. Journal of Molecular Structure. 2013 ; 1053 100-105.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2013.09.010

    • Vancouver

      Rodrigues SMM, Nardini V, Moral RF, Constantino MG, Silva GVJ da. Assignment of NMR data and relative stereochemistry determination of paraconic acid derivatives [Internet]. Journal of Molecular Structure. 2013 ; 1053 100-105.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2013.09.010
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