Filtros : "Tahir, Muhammad Nawaz" Limpar

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  • Source: pharmaceuticals. Unidade: IQ

    Subjects: MODELAGEM MOLECULAR, DIABETES MELLITUS, DIFRAÇÃO POR RAIOS X

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    • ABNT

      KHAN, Bilal Ahmad et al. Exploring probenecid derived 1,3,4-Oxadiazole-phthalimide hybrid as α-Amylase inhibitor: synthesis, structural investigation, and molecular modeling. pharmaceuticals, v. 16, p. 1-19 art. 424, 2023Tradução . . Disponível em: https://doi.org/10.3390/ph16030424. Acesso em: 01 maio 2024.
    • APA

      Khan, B. A., Hamdani, S. S., Khalid, M., Ashfaq, M., Munawar, K. S., Tahir, M. N., et al. (2023). Exploring probenecid derived 1,3,4-Oxadiazole-phthalimide hybrid as α-Amylase inhibitor: synthesis, structural investigation, and molecular modeling. pharmaceuticals, 16, 1-19 art. 424. doi:10.3390/ph16030424
    • NLM

      Khan BA, Hamdani SS, Khalid M, Ashfaq M, Munawar KS, Tahir MN, Braga AAC, Shawky AM, Alqahtani AM, Abourehab MAS, Gabr GA, Ibrahim MAA, Sidhom PA. Exploring probenecid derived 1,3,4-Oxadiazole-phthalimide hybrid as α-Amylase inhibitor: synthesis, structural investigation, and molecular modeling [Internet]. pharmaceuticals. 2023 ; 16 1-19 art. 424.[citado 2024 maio 01 ] Available from: https://doi.org/10.3390/ph16030424
    • Vancouver

      Khan BA, Hamdani SS, Khalid M, Ashfaq M, Munawar KS, Tahir MN, Braga AAC, Shawky AM, Alqahtani AM, Abourehab MAS, Gabr GA, Ibrahim MAA, Sidhom PA. Exploring probenecid derived 1,3,4-Oxadiazole-phthalimide hybrid as α-Amylase inhibitor: synthesis, structural investigation, and molecular modeling [Internet]. pharmaceuticals. 2023 ; 16 1-19 art. 424.[citado 2024 maio 01 ] Available from: https://doi.org/10.3390/ph16030424
  • Source: Journal of Molecular Structure. Unidades: IQ, IQSC

    Subjects: QUÍMICA ORGÂNICA, SÍNTESE ORGÂNICA

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    • ABNT

      KHALID, Muhammad et al. Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state network. Journal of Molecular Structure, v. 1230 p. 129827, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2020.129827. Acesso em: 01 maio 2024.
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      Khalid, M., Ali, A., Khan, M. U., Tahir, M. N., Ahmad, A., Ashfaq, M., et al. (2021). Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state network. Journal of Molecular Structure, 1230 p. 129827. doi:10.1016/j.molstruc.2020.129827
    • NLM

      Khalid M, Ali A, Khan MU, Tahir MN, Ahmad A, Ashfaq M, Hussain R, Morais SF de A, Braga AAC. Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state network [Internet]. Journal of Molecular Structure. 2021 ; 1230 p. 129827[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129827
    • Vancouver

      Khalid M, Ali A, Khan MU, Tahir MN, Ahmad A, Ashfaq M, Hussain R, Morais SF de A, Braga AAC. Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state network [Internet]. Journal of Molecular Structure. 2021 ; 1230 p. 129827[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129827
  • Source: Journal of Molecular Structure. Unidade: IQ

    Assunto: COMPOSTOS HETEROCÍCLICOS

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      PASHA, Anam Rubbab et al. A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach. Journal of Molecular Structure, v. 1230, p. 1-11 art. 129852, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2020.129852. Acesso em: 01 maio 2024.
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      Pasha, A. R., Khalid, M., Shafiq, Z., Khan, M. U., Naseer, M. M., Tahir, M. N., et al. (2021). A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach. Journal of Molecular Structure, 1230, 1-11 art. 129852. doi:10.1016/j.molstruc.2020.129852
    • NLM

      Pasha AR, Khalid M, Shafiq Z, Khan MU, Naseer MM, Tahir MN, Hussain R, Braga AAC, Jawaria R. A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach [Internet]. Journal of Molecular Structure. 2021 ; 1230 1-11 art. 129852.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129852
    • Vancouver

      Pasha AR, Khalid M, Shafiq Z, Khan MU, Naseer MM, Tahir MN, Hussain R, Braga AAC, Jawaria R. A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach [Internet]. Journal of Molecular Structure. 2021 ; 1230 1-11 art. 129852.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129852
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: DIFRAÇÃO POR RAIOS X, BENZENO, QUÍMICA DE COORDENAÇÃO

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      KHAN, Ezzat et al. Molecular structure of 1,4-bis(substituted-carbonyl)benzene: a combined experimental and theoretical approach. Journal of Molecular Structure, v. 1205, p. 1-14 art. 127633, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2019.127633. Acesso em: 01 maio 2024.
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      Khan, E., Khalid, M., Gul, Z., Shahzad, A., Tahir, M. N., Asif, H. M., et al. (2020). Molecular structure of 1,4-bis(substituted-carbonyl)benzene: a combined experimental and theoretical approach. Journal of Molecular Structure, 1205, 1-14 art. 127633. doi:10.1016/j.molstruc.2019.127633
    • NLM

      Khan E, Khalid M, Gul Z, Shahzad A, Tahir MN, Asif HM, Asim S, Braga AAC. Molecular structure of 1,4-bis(substituted-carbonyl)benzene: a combined experimental and theoretical approach [Internet]. Journal of Molecular Structure. 2020 ; 1205 1-14 art. 127633.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127633
    • Vancouver

      Khan E, Khalid M, Gul Z, Shahzad A, Tahir MN, Asif HM, Asim S, Braga AAC. Molecular structure of 1,4-bis(substituted-carbonyl)benzene: a combined experimental and theoretical approach [Internet]. Journal of Molecular Structure. 2020 ; 1205 1-14 art. 127633.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127633
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: DIFRAÇÃO POR RAIOS X, ANÁLISE DE FOURIER

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    • ABNT

      KHALID, Muhammad et al. O-4-Acetylamino-benzenesulfonylated pyrimidine derivatives: synthesis, SC-XRD, DFT analysis and electronic behaviour investigation. Journal of Molecular Structure, v. 1224, p. 1-11 art. 129308, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2020.129308. Acesso em: 01 maio 2024.
    • APA

      Khalid, M., Ali, A., Haq, S., Tahir, M. N., Iqbal, J., Braga, A. A. C., et al. (2020). O-4-Acetylamino-benzenesulfonylated pyrimidine derivatives: synthesis, SC-XRD, DFT analysis and electronic behaviour investigation. Journal of Molecular Structure, 1224, 1-11 art. 129308. doi:10.1016/j.molstruc.2020.129308
    • NLM

      Khalid M, Ali A, Haq S, Tahir MN, Iqbal J, Braga AAC, Ashfaq M, Akhtar SUH. O-4-Acetylamino-benzenesulfonylated pyrimidine derivatives: synthesis, SC-XRD, DFT analysis and electronic behaviour investigation [Internet]. Journal of Molecular Structure. 2020 ; 1224 1-11 art. 129308.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129308
    • Vancouver

      Khalid M, Ali A, Haq S, Tahir MN, Iqbal J, Braga AAC, Ashfaq M, Akhtar SUH. O-4-Acetylamino-benzenesulfonylated pyrimidine derivatives: synthesis, SC-XRD, DFT analysis and electronic behaviour investigation [Internet]. Journal of Molecular Structure. 2020 ; 1224 1-11 art. 129308.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129308
  • Source: ACS Omega. Unidade: IQ

    Subjects: QUÍMICA QUÂNTICA, CROMO

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      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: 01 maio 2024.
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      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 2024 maio 01 ] 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 2024 maio 01 ] Available from: https://doi.org/10.1021/acsomega.0c04653
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: PALÁDIO, RESSONÂNCIA MAGNÉTICA NUCLEAR

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      AKRAM, Muhammad et al. Highly efficient one pot palladium-catalyzed synthesis of 3,5-bis (arylated) pyridines: Comparative experimental and DFT studies. Journal of Molecular Structure, v. 1213, p. 1-15 art. 128131, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2020.128131. Acesso em: 01 maio 2024.
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      Akram, M., Adeel, M., Khalid, M., Tahir, M. N., Aliabad, H. A. R., Ullah, M. A., et al. (2020). Highly efficient one pot palladium-catalyzed synthesis of 3,5-bis (arylated) pyridines: Comparative experimental and DFT studies. Journal of Molecular Structure, 1213, 1-15 art. 128131. doi:10.1016/j.molstruc.2020.128131
    • NLM

      Akram M, Adeel M, Khalid M, Tahir MN, Aliabad HAR, Ullah MA, Iqbal J, Braga AAC. Highly efficient one pot palladium-catalyzed synthesis of 3,5-bis (arylated) pyridines: Comparative experimental and DFT studies [Internet]. Journal of Molecular Structure. 2020 ; 1213 1-15 art. 128131.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2020.128131
    • Vancouver

      Akram M, Adeel M, Khalid M, Tahir MN, Aliabad HAR, Ullah MA, Iqbal J, Braga AAC. Highly efficient one pot palladium-catalyzed synthesis of 3,5-bis (arylated) pyridines: Comparative experimental and DFT studies [Internet]. Journal of Molecular Structure. 2020 ; 1213 1-15 art. 128131.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2020.128131
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: SAIS, ÁCIDOS

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      HANIF, Muhammad et al. 2-Amino-3-methylpyridinium, 2-amino-4-methylbenzothiazolium and 2-amino-5-chloropyridinium salts. experimental and theoretical findings. Journal of Molecular Structure, v. 1222, p. 1-16 art. 128914, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2020.128914. Acesso em: 01 maio 2024.
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      Hanif, M., Khan, E., Tahir, M. N., Morais, S. F. de A., & Braga, A. A. C. (2020). 2-Amino-3-methylpyridinium, 2-amino-4-methylbenzothiazolium and 2-amino-5-chloropyridinium salts. experimental and theoretical findings. Journal of Molecular Structure, 1222, 1-16 art. 128914. doi:10.1016/j.molstruc.2020.128914
    • NLM

      Hanif M, Khan E, Tahir MN, Morais SF de A, Braga AAC. 2-Amino-3-methylpyridinium, 2-amino-4-methylbenzothiazolium and 2-amino-5-chloropyridinium salts. experimental and theoretical findings [Internet]. Journal of Molecular Structure. 2020 ; 1222 1-16 art. 128914.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2020.128914
    • Vancouver

      Hanif M, Khan E, Tahir MN, Morais SF de A, Braga AAC. 2-Amino-3-methylpyridinium, 2-amino-4-methylbenzothiazolium and 2-amino-5-chloropyridinium salts. experimental and theoretical findings [Internet]. Journal of Molecular Structure. 2020 ; 1222 1-16 art. 128914.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2020.128914
  • Source: ChemistrySelect. Unidade: IQSC

    Subjects: ULTRASSOM, RAIOS X

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      KHALID, Muhammad et al. Facile Ultrasound based Synthesis, SCXRD, DFT Exploration of the Substituted AcylHydrazones: An Experimental and Theoretical Slant towards Supramolecular Chemistry. ChemistrySelect, v. 5, p. , 2020Tradução . . Disponível em: https://doi.org/10.1002/slct.202003589. Acesso em: 01 maio 2024.
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      Khalid, M., Ali, A., Abid , S., Tahir, M. N., Khan, M. U., Ashfaq, M., et al. (2020). Facile Ultrasound based Synthesis, SCXRD, DFT Exploration of the Substituted AcylHydrazones: An Experimental and Theoretical Slant towards Supramolecular Chemistry. ChemistrySelect, 5, . doi:10.1002/slct.202003589
    • NLM

      Khalid M, Ali A, Abid S, Tahir MN, Khan MU, Ashfaq M, Imran M, Ahmad A. Facile Ultrasound based Synthesis, SCXRD, DFT Exploration of the Substituted AcylHydrazones: An Experimental and Theoretical Slant towards Supramolecular Chemistry [Internet]. ChemistrySelect. 2020 ; 5 .[citado 2024 maio 01 ] Available from: https://doi.org/10.1002/slct.202003589
    • Vancouver

      Khalid M, Ali A, Abid S, Tahir MN, Khan MU, Ashfaq M, Imran M, Ahmad A. Facile Ultrasound based Synthesis, SCXRD, DFT Exploration of the Substituted AcylHydrazones: An Experimental and Theoretical Slant towards Supramolecular Chemistry [Internet]. ChemistrySelect. 2020 ; 5 .[citado 2024 maio 01 ] Available from: https://doi.org/10.1002/slct.202003589
  • Source: ACS Omega. Unidade: IQ

    Subjects: COMPOSTOS AROMÁTICOS, COMPOSTOS ORGÂNICOS

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      ALI, Arif et al. Efficient synthesis, SC-XRD, and theoretical studies of О-Benzenesulfonylated pyrimidines: role of noncovalent interaction influence in their supramolecular network. ACS Omega, v. 5, p. 15115−15128, 2020Tradução . . Disponível em: https://doi.org/10.1021/acsomega.0c00975. Acesso em: 01 maio 2024.
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      Ali, A., Khalid, M., Rehman, M. F. ur, Haq, S., Ali, A., Tahir, M. N., et al. (2020). Efficient synthesis, SC-XRD, and theoretical studies of О-Benzenesulfonylated pyrimidines: role of noncovalent interaction influence in their supramolecular network. ACS Omega, 5, 15115−15128. doi:10.1021/acsomega.0c00975
    • NLM

      Ali A, Khalid M, Rehman MF ur, Haq S, Ali A, Tahir MN, Ashfaq M, Rasool F, Braga AAC. Efficient synthesis, SC-XRD, and theoretical studies of О-Benzenesulfonylated pyrimidines: role of noncovalent interaction influence in their supramolecular network [Internet]. ACS Omega. 2020 ; 5 15115−15128.[citado 2024 maio 01 ] Available from: https://doi.org/10.1021/acsomega.0c00975
    • Vancouver

      Ali A, Khalid M, Rehman MF ur, Haq S, Ali A, Tahir MN, Ashfaq M, Rasool F, Braga AAC. Efficient synthesis, SC-XRD, and theoretical studies of О-Benzenesulfonylated pyrimidines: role of noncovalent interaction influence in their supramolecular network [Internet]. ACS Omega. 2020 ; 5 15115−15128.[citado 2024 maio 01 ] Available from: https://doi.org/10.1021/acsomega.0c00975
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: DIFRAÇÃO POR RAIOS X, ALCALOIDES

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      TARIQ, Sobia et al. Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies. Journal of Molecular Structure, v. 1203, p. 1-15 art. 127438, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2019.127438. Acesso em: 01 maio 2024.
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      Tariq, S., Raza, A. R., Khalid, M., Rubab, S. L., Khan, M. U., Ali, A., et al. (2020). Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies. Journal of Molecular Structure, 1203, 1-15 art. 127438. doi:10.1016/j.molstruc.2019.127438
    • NLM

      Tariq S, Raza AR, Khalid M, Rubab SL, Khan MU, Ali A, Tahir MN, Braga AAC. Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies [Internet]. Journal of Molecular Structure. 2020 ; 1203 1-15 art. 127438.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127438
    • Vancouver

      Tariq S, Raza AR, Khalid M, Rubab SL, Khan MU, Ali A, Tahir MN, Braga AAC. Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies [Internet]. Journal of Molecular Structure. 2020 ; 1203 1-15 art. 127438.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127438
  • Source: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. Unidade: IQ

    Subjects: TECNOLOGIA DE MICRO-ONDAS, IRRADIAÇÃO

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      RAZA, Abdul Rauf et al. A facile microwave assisted synthesis and structure elucidation of (3R)-3-alkyl-4,1-benzoxazepine-2,5-diones by crystallographic, spectroscopic and DFT studies. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, v. 230, p. 1-15 art. 117995, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.saa.2019.117995. Acesso em: 01 maio 2024.
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      Raza, A. R., Nisar, B., Khalid, M., Gondal, H. Y., Khan, M. U., Morais, S. F. de A., et al. (2020). A facile microwave assisted synthesis and structure elucidation of (3R)-3-alkyl-4,1-benzoxazepine-2,5-diones by crystallographic, spectroscopic and DFT studies. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 230, 1-15 art. 117995. doi:10.1016/j.saa.2019.117995
    • NLM

      Raza AR, Nisar B, Khalid M, Gondal HY, Khan MU, Morais SF de A, Tahir MN, Braga AAC. A facile microwave assisted synthesis and structure elucidation of (3R)-3-alkyl-4,1-benzoxazepine-2,5-diones by crystallographic, spectroscopic and DFT studies [Internet]. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2020 ; 230 1-15 art. 117995.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.saa.2019.117995
    • Vancouver

      Raza AR, Nisar B, Khalid M, Gondal HY, Khan MU, Morais SF de A, Tahir MN, Braga AAC. A facile microwave assisted synthesis and structure elucidation of (3R)-3-alkyl-4,1-benzoxazepine-2,5-diones by crystallographic, spectroscopic and DFT studies [Internet]. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2020 ; 230 1-15 art. 117995.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.saa.2019.117995
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: ANTIOXIDANTES, ENZIMAS, SAIS

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      KHAN, Ezzat et al. Molecular salts of terephthalic acids with 2-aminopyridine and 2-aminothiazole derivatives as potential antioxidant agents: base-Acid-Base type architectures. Journal of Molecular Structure, v. 1200, p. 1-15 art. 127126, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2019.127126. Acesso em: 01 maio 2024.
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      Khan, E., Khan, A., Gul, Z., Ullah, F., Tahir, M. N., Khalid, M., et al. (2020). Molecular salts of terephthalic acids with 2-aminopyridine and 2-aminothiazole derivatives as potential antioxidant agents: base-Acid-Base type architectures. Journal of Molecular Structure, 1200, 1-15 art. 127126. doi:10.1016/j.molstruc.2019.127126
    • NLM

      Khan E, Khan A, Gul Z, Ullah F, Tahir MN, Khalid M, Asif HM, Asim S, Braga AAC. Molecular salts of terephthalic acids with 2-aminopyridine and 2-aminothiazole derivatives as potential antioxidant agents: base-Acid-Base type architectures [Internet]. Journal of Molecular Structure. 2020 ; 1200 1-15 art. 127126.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127126
    • Vancouver

      Khan E, Khan A, Gul Z, Ullah F, Tahir MN, Khalid M, Asif HM, Asim S, Braga AAC. Molecular salts of terephthalic acids with 2-aminopyridine and 2-aminothiazole derivatives as potential antioxidant agents: base-Acid-Base type architectures [Internet]. Journal of Molecular Structure. 2020 ; 1200 1-15 art. 127126.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127126
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: ANÁLISE ESPECTROSCÓPICA, ALCALOIDES

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      TARIQ, Sobia et al. Experimental and computational investigations of new indole derivatives: a combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis. Journal of Molecular Structure, v. 1207, p. 1-16 art. 127803, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2020.127803. Acesso em: 01 maio 2024.
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      Tariq, S., Khalid, M., Raza, A. R., Rubab, S. L., Morais, S. F. de A., Khan, M. U., et al. (2020). Experimental and computational investigations of new indole derivatives: a combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis. Journal of Molecular Structure, 1207, 1-16 art. 127803. doi:10.1016/j.molstruc.2020.127803
    • NLM

      Tariq S, Khalid M, Raza AR, Rubab SL, Morais SF de A, Khan MU, Tahir MN, Braga AAC. Experimental and computational investigations of new indole derivatives: a combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis [Internet]. Journal of Molecular Structure. 2020 ; 1207 1-16 art. 127803.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2020.127803
    • Vancouver

      Tariq S, Khalid M, Raza AR, Rubab SL, Morais SF de A, Khan MU, Tahir MN, Braga AAC. Experimental and computational investigations of new indole derivatives: a combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis [Internet]. Journal of Molecular Structure. 2020 ; 1207 1-16 art. 127803.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2020.127803
  • Source: Inorganica Chimica Acta. Unidade: IQ

    Subjects: ORBITAL MOLECULAR, ESPECTROSCOPIA

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      JAWARIA, Rifat et al. Synthesis, crystal structure analysis, spectral characterization and nonlinear optical exploration of potent thiosemicarbazones based compounds: a DFT refine experimental study. Inorganica Chimica Acta, v. 486, p. 162-171, 2019Tradução . . Disponível em: https://doi.org/10.1016/j.ica.2018.10.035. Acesso em: 01 maio 2024.
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      Jawaria, R., Hussain, M., Khalid, M., Khan, M. U., Tahir, M. N., Naseer, M. M., et al. (2019). Synthesis, crystal structure analysis, spectral characterization and nonlinear optical exploration of potent thiosemicarbazones based compounds: a DFT refine experimental study. Inorganica Chimica Acta, 486, 162-171. doi:10.1016/j.ica.2018.10.035
    • NLM

      Jawaria R, Hussain M, Khalid M, Khan MU, Tahir MN, Naseer MM, Braga AAC, Shafiq Z. Synthesis, crystal structure analysis, spectral characterization and nonlinear optical exploration of potent thiosemicarbazones based compounds: a DFT refine experimental study [Internet]. Inorganica Chimica Acta. 2019 ; 486 162-171.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.ica.2018.10.035
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      Jawaria R, Hussain M, Khalid M, Khan MU, Tahir MN, Naseer MM, Braga AAC, Shafiq Z. Synthesis, crystal structure analysis, spectral characterization and nonlinear optical exploration of potent thiosemicarbazones based compounds: a DFT refine experimental study [Internet]. Inorganica Chimica Acta. 2019 ; 486 162-171.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.ica.2018.10.035
  • Source: Applied Organometallic Chemistry. Unidade: IQ

    Subjects: QUÍMICA QUÂNTICA, COMPOSTOS ORGÂNICOS

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      RAFIQ, Muhammad et al. Synthesis, XRD, spectral (IR, UV-Vis, NMR) characterization and quantum chemical exploration of benzoimidazole-based hydrazones: a synergistic experimental-computational analysis. Applied Organometallic Chemistry, v. 33, p. 1-17 art. e5182, 2019Tradução . . Disponível em: https://doi.org/10.1002/aoc.5182. Acesso em: 01 maio 2024.
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      Rafiq, M., Khalid, M., Tahir, M. N., Ahmad, M. U., Khan, M. U., Naseer, M. M., et al. (2019). Synthesis, XRD, spectral (IR, UV-Vis, NMR) characterization and quantum chemical exploration of benzoimidazole-based hydrazones: a synergistic experimental-computational analysis. Applied Organometallic Chemistry, 33, 1-17 art. e5182. doi:10.1002/aoc.5182
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      Rafiq M, Khalid M, Tahir MN, Ahmad MU, Khan MU, Naseer MM, Braga AAC, Muhammad S, Shafiq Z. Synthesis, XRD, spectral (IR, UV-Vis, NMR) characterization and quantum chemical exploration of benzoimidazole-based hydrazones: a synergistic experimental-computational analysis [Internet]. Applied Organometallic Chemistry. 2019 ; 33 1-17 art. e5182.[citado 2024 maio 01 ] Available from: https://doi.org/10.1002/aoc.5182
    • Vancouver

      Rafiq M, Khalid M, Tahir MN, Ahmad MU, Khan MU, Naseer MM, Braga AAC, Muhammad S, Shafiq Z. Synthesis, XRD, spectral (IR, UV-Vis, NMR) characterization and quantum chemical exploration of benzoimidazole-based hydrazones: a synergistic experimental-computational analysis [Internet]. Applied Organometallic Chemistry. 2019 ; 33 1-17 art. e5182.[citado 2024 maio 01 ] Available from: https://doi.org/10.1002/aoc.5182
  • Source: Journal of Saudi Chemical Society. Unidade: IQ

    Subjects: SÍNTESE QUÍMICA, ÓPTICA NÃO LINEAR

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      KHALID, Muhammad et al. Synthesis, crystal structure analysis, spectral IR, UV–Vis, NMR assessments, electronic and nonlinear optical properties of potent quinoline based derivatives: Interplay of experimental and DFT study. Journal of Saudi Chemical Society, v. 23, n. 5, p. 546-560, 2019Tradução . . Disponível em: https://doi.org/10.1016/j.jscs.2018.09.006. Acesso em: 01 maio 2024.
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      khalid, M., Ullah, M. A., Adeel, M., Khan, M. U., Tahir, M. N., & Braga, A. A. C. (2019). Synthesis, crystal structure analysis, spectral IR, UV–Vis, NMR assessments, electronic and nonlinear optical properties of potent quinoline based derivatives: Interplay of experimental and DFT study. Journal of Saudi Chemical Society, 23( 5), 546-560. doi:10.1016/j.jscs.2018.09.006
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      khalid M, Ullah MA, Adeel M, Khan MU, Tahir MN, Braga AAC. Synthesis, crystal structure analysis, spectral IR, UV–Vis, NMR assessments, electronic and nonlinear optical properties of potent quinoline based derivatives: Interplay of experimental and DFT study [Internet]. Journal of Saudi Chemical Society. 2019 ; 23( 5): 546-560.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.jscs.2018.09.006
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      khalid M, Ullah MA, Adeel M, Khan MU, Tahir MN, Braga AAC. Synthesis, crystal structure analysis, spectral IR, UV–Vis, NMR assessments, electronic and nonlinear optical properties of potent quinoline based derivatives: Interplay of experimental and DFT study [Internet]. Journal of Saudi Chemical Society. 2019 ; 23( 5): 546-560.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.jscs.2018.09.006
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: CRISTALOGRAFIA FÍSICA, METANOL

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      TAHIR, Muhammad Nawaz et al. Synthesis, single crystal analysis and DFT based computational studies of 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrim idin-1-ium 3,4,5- trihydroxybenzoate -methanol (DETM). Journal of Molecular Structure, v. 1180, p. 119-126, 2019Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2018.11.089. Acesso em: 01 maio 2024.
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      Tahir, M. N., Mirza, S. H., khalid, M., Ali, A., Khan, M. U., & Braga, A. A. C. (2019). Synthesis, single crystal analysis and DFT based computational studies of 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrim idin-1-ium 3,4,5- trihydroxybenzoate -methanol (DETM). Journal of Molecular Structure, 1180, 119-126. doi:10.1016/j.molstruc.2018.11.089
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      Tahir MN, Mirza SH, khalid M, Ali A, Khan MU, Braga AAC. Synthesis, single crystal analysis and DFT based computational studies of 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrim idin-1-ium 3,4,5- trihydroxybenzoate -methanol (DETM) [Internet]. Journal of Molecular Structure. 2019 ; 1180 119-126.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2018.11.089
    • Vancouver

      Tahir MN, Mirza SH, khalid M, Ali A, Khan MU, Braga AAC. Synthesis, single crystal analysis and DFT based computational studies of 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrim idin-1-ium 3,4,5- trihydroxybenzoate -methanol (DETM) [Internet]. Journal of Molecular Structure. 2019 ; 1180 119-126.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2018.11.089
  • Source: Turkish Journal of Chemistry. Unidade: IQ

    Subjects: CRISTALOGRAFIA DE RAIOS X, ESPECTROSCOPIA, ANTIOXIDANTES

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      REHMAN, Naima et al. Schiff base of isoniazid and ketoprofen: synthesis, X-ray crystallographic, spectroscopic, antioxidant, and computational studies. Turkish Journal of Chemistry, v. 42, p. 639-651, 2018Tradução . . Disponível em: https://doi.org/10.3906/kim-1706-45. Acesso em: 01 maio 2024.
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      Rehman, N., khalid, M., Bhatti, M. H., Yunusy, U., Braga, A. A. C., Ahmed, F., et al. (2018). Schiff base of isoniazid and ketoprofen: synthesis, X-ray crystallographic, spectroscopic, antioxidant, and computational studies. Turkish Journal of Chemistry, 42, 639-651. doi:10.3906/kim-1706-45
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      Rehman N, khalid M, Bhatti MH, Yunusy U, Braga AAC, Ahmed F, Mashhadi SM ali, Tahir MN. Schiff base of isoniazid and ketoprofen: synthesis, X-ray crystallographic, spectroscopic, antioxidant, and computational studies [Internet]. Turkish Journal of Chemistry. 2018 ; 42 639-651.[citado 2024 maio 01 ] Available from: https://doi.org/10.3906/kim-1706-45
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      Rehman N, khalid M, Bhatti MH, Yunusy U, Braga AAC, Ahmed F, Mashhadi SM ali, Tahir MN. Schiff base of isoniazid and ketoprofen: synthesis, X-ray crystallographic, spectroscopic, antioxidant, and computational studies [Internet]. Turkish Journal of Chemistry. 2018 ; 42 639-651.[citado 2024 maio 01 ] Available from: https://doi.org/10.3906/kim-1706-45
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: ORBITAL MOLECULAR, LIGAÇÕES QUÍMICAS

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      SHAHID, Muhammad et al. Synthetic, XRD, non-covalent interactions and solvent dependent nonlinear optical studies of Sulfadiazine-Ortho-Vanillin Schiff base: (E)-4-((2-hydroxy-3-methoxy- benzylidene) amino)-N-(pyrimidin-2-yl)benzene-sulfonamide. Journal of Molecular Structure, v. 1161, p. 66-75, 2018Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2018.02.043. Acesso em: 01 maio 2024.
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      Shahid, M., Salim, M., Khalid, M., Tahir, M. N., Khan, M. U., & Braga, A. A. C. (2018). Synthetic, XRD, non-covalent interactions and solvent dependent nonlinear optical studies of Sulfadiazine-Ortho-Vanillin Schiff base: (E)-4-((2-hydroxy-3-methoxy- benzylidene) amino)-N-(pyrimidin-2-yl)benzene-sulfonamide. Journal of Molecular Structure, 1161, 66-75. doi:10.1016/j.molstruc.2018.02.043
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      Shahid M, Salim M, Khalid M, Tahir MN, Khan MU, Braga AAC. Synthetic, XRD, non-covalent interactions and solvent dependent nonlinear optical studies of Sulfadiazine-Ortho-Vanillin Schiff base: (E)-4-((2-hydroxy-3-methoxy- benzylidene) amino)-N-(pyrimidin-2-yl)benzene-sulfonamide [Internet]. Journal of Molecular Structure. 2018 ; 1161 66-75.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2018.02.043
    • Vancouver

      Shahid M, Salim M, Khalid M, Tahir MN, Khan MU, Braga AAC. Synthetic, XRD, non-covalent interactions and solvent dependent nonlinear optical studies of Sulfadiazine-Ortho-Vanillin Schiff base: (E)-4-((2-hydroxy-3-methoxy- benzylidene) amino)-N-(pyrimidin-2-yl)benzene-sulfonamide [Internet]. Journal of Molecular Structure. 2018 ; 1161 66-75.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2018.02.043

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