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Filtros : "COMPOSTOS ORGÂNICOS" "Journal of Molecular Structure" Removido: "Financiado pela FAPESP" Limpar

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  • 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

    Fonte: Journal of Molecular Structure. Unidade: IQ

    Assuntos: 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: 28 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. 28 ] 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. 28 ] 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

    Fonte: Journal of Molecular Structure. Unidade: IQ

    Assuntos: 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: 28 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. 28 ] 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. 28 ] 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

    Fonte: Journal of Molecular Structure. Unidade: IQ

    Assuntos: COMPOSTOS ORGÂNICOS, ESPECTROSCOPIA

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      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: 28 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. 28 ] 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. 28 ] 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

    Fonte: Journal of Molecular Structure. Unidade: FCFRP

    Assuntos: 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: 28 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. 28 ] 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. 28 ] 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.

    Fonte: Journal of Molecular Structure. Unidade: FFCLRP

    Assuntos: 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: 28 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. 28 ] 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. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127209

  • 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

    Fonte: Journal of Molecular Structure. Unidade: IQ

    Assuntos: 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: 28 nov. 2025.

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      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. 28 ] 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. 28 ] 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

    Fonte: Journal of Molecular Structure. Unidade: IQ

    Assuntos: 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: 28 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. 28 ] 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. 28 ] 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

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

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

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    • ABNT

      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: 28 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. 28 ] 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. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2013.09.010
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