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  • Source: Journal of Molecular Structure. Unidade: IQSC

    Subjects: VANÁDIO, RAIOS X

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      MELLO, Lucas dos S; MARTINS, Felipe T; DOCKAL, Edward Ralph; et al. Synthesis, characterization and crystal structure of racemic vanadyl and uranyl salen-type complexes. Journal of Molecular Structure, Amsterdam, Elsevier, v. 1223, p. 129156, 2021. Disponível em: < https://doi.org/10.1016/j.molstruc.2020.129656 > DOI: 10.1016/j.molstruc.2020.129656.
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      Mello, L. dos S., Martins, F. T., Dockal, E. R., Cruz Júnior, J. W. da, Bucalon, D. H., Romera, S., et al. (2021). Synthesis, characterization and crystal structure of racemic vanadyl and uranyl salen-type complexes. Journal of Molecular Structure, 1223, 129156. doi:10.1016/j.molstruc.2020.129656
    • NLM

      Mello L dos S, Martins FT, Dockal ER, Cruz Júnior JW da, Bucalon DH, Romera S, Santos MP dos, Lião luciano M, Vizotto L. Synthesis, characterization and crystal structure of racemic vanadyl and uranyl salen-type complexes [Internet]. Journal of Molecular Structure. 2021 ; 1223 129156.Available from: https://doi.org/10.1016/j.molstruc.2020.129656
    • Vancouver

      Mello L dos S, Martins FT, Dockal ER, Cruz Júnior JW da, Bucalon DH, Romera S, Santos MP dos, Lião luciano M, Vizotto L. Synthesis, characterization and crystal structure of racemic vanadyl and uranyl salen-type complexes [Internet]. Journal of Molecular Structure. 2021 ; 1223 129156.Available from: https://doi.org/10.1016/j.molstruc.2020.129656
  • Source: Journal of Molecular Structure. Unidades: EACH, IQSC

    Subjects: QUALIDADE DE VIDA, NEUROLOGIA

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      CHIARI, Laise Pellegrini Alencar; SILVA, Aldineia Pereira da; OLIVEIRA, Aline A; et al. Drug design of new sigma-1 antagonists against neuropathic pain: A QSAR study using partial least squares and artificial neural networks. Journal of Molecular Structure, Amsterdam, Elsevier, v. 1223, p. 129156, 2021. Disponível em: < https://doi.org/10.1016/j.molstruc.2020.129156 > DOI: 10.1016/j.molstruc.2020.129156.
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      Chiari, L. P. A., Silva, A. P. da, Oliveira, A. A., Lipinski, C. F., Honório, K. M., & Silva, A. B. F. da. (2021). Drug design of new sigma-1 antagonists against neuropathic pain: A QSAR study using partial least squares and artificial neural networks. Journal of Molecular Structure, 1223, 129156. doi:10.1016/j.molstruc.2020.129156
    • NLM

      Chiari LPA, Silva AP da, Oliveira AA, Lipinski CF, Honório KM, Silva ABF da. Drug design of new sigma-1 antagonists against neuropathic pain: A QSAR study using partial least squares and artificial neural networks [Internet]. Journal of Molecular Structure. 2021 ; 1223 129156.Available from: https://doi.org/10.1016/j.molstruc.2020.129156
    • Vancouver

      Chiari LPA, Silva AP da, Oliveira AA, Lipinski CF, Honório KM, Silva ABF da. Drug design of new sigma-1 antagonists against neuropathic pain: A QSAR study using partial least squares and artificial neural networks [Internet]. Journal of Molecular Structure. 2021 ; 1223 129156.Available from: https://doi.org/10.1016/j.molstruc.2020.129156
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: ESPECTROSCOPIA, REAGENTES

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      BUENO, Marco A; MOURA, Rebeca Garcia; FRANCO, Maurício Portiolli; et al. A new piperazine: spectroscopic and theoretical conformational studies. Journal of Molecular Structure, Amsterdam, v. 1203, n. 5, p. 1-5 art. 127420, 2020. Disponível em: < http://dx.doi.org/ 10.1016/j.molstruc.2019.127420 > DOI: 10.1016/j.molstruc.2019.127420.
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      Bueno, M. A., Moura, R. G., Franco, M. P., Braga, A. A. C., Di Vitta, C., & Marzorati, L. (2020). A new piperazine: spectroscopic and theoretical conformational studies. Journal of Molecular Structure, 1203( 5), 1-5 art. 127420. doi:10.1016/j.molstruc.2019.127420
    • NLM

      Bueno MA, Moura RG, Franco MP, Braga AAC, Di Vitta C, Marzorati L. A new piperazine: spectroscopic and theoretical conformational studies [Internet]. Journal of Molecular Structure. 2020 ; 1203( 5): 1-5 art. 127420.Available from: http://dx.doi.org/ 10.1016/j.molstruc.2019.127420
    • Vancouver

      Bueno MA, Moura RG, Franco MP, Braga AAC, Di Vitta C, Marzorati L. A new piperazine: spectroscopic and theoretical conformational studies [Internet]. Journal of Molecular Structure. 2020 ; 1203( 5): 1-5 art. 127420.Available from: http://dx.doi.org/ 10.1016/j.molstruc.2019.127420
  • Source: Journal of Molecular Structure. Unidade: IFSC

    Subjects: CRISTALOGRAFIA, PLANEJAMENTO DE FÁRMACOS, ANTIFÚNGICOS

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      ALBUINI-OLIVEIRA, Nathália M.; RUBINGER, Mayura M. M.; GUILARDI, Silvana; et al. New allyldithiocarbimate salts: synthesis, structure and antifungal activity. Journal of Molecular Structure, Amsterdam, Elsevier BV, v. 1214, p. 128149-1-128149-16, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.128149 > DOI: 10.1016/j.molstruc.2020.128149.
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      Albuini-Oliveira, N. M., Rubinger, M. M. M., Guilardi, S., Souza, R. A. C., Ellena, J., Alvarez, N., et al. (2020). New allyldithiocarbimate salts: synthesis, structure and antifungal activity. Journal of Molecular Structure, 1214, 128149-1-128149-16. doi:10.1016/j.molstruc.2020.128149
    • NLM

      Albuini-Oliveira NM, Rubinger MMM, Guilardi S, Souza RAC, Ellena J, Alvarez N, Tavares EC, Zacchi CHC, Vidigal AEC, Lima MS, Zambolim L. New allyldithiocarbimate salts: synthesis, structure and antifungal activity [Internet]. Journal of Molecular Structure. 2020 ; 1214 128149-1-128149-16.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.128149
    • Vancouver

      Albuini-Oliveira NM, Rubinger MMM, Guilardi S, Souza RAC, Ellena J, Alvarez N, Tavares EC, Zacchi CHC, Vidigal AEC, Lima MS, Zambolim L. New allyldithiocarbimate salts: synthesis, structure and antifungal activity [Internet]. Journal of Molecular Structure. 2020 ; 1214 128149-1-128149-16.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.128149
  • Source: Journal of Molecular Structure. Unidade: IFSC

    Subjects: CRISTALOGRAFIA, ÓPTICA

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      CUSTODIO, Jean M. F.; GOTARDO, Fernando; VAZ, Wesley F.; et al. Benzenesulfonyl incorporated chalcones: synthesis, structural and optical properties. Journal of Molecular Structure, Amsterdam, Elsevier BV, v. 1208, p. 127845-1-127845-11, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.127845 > DOI: 10.1016/j.molstruc.2020.127845.
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      Custodio, J. M. F., Gotardo, F., Vaz, W. F., D'Oliveira, G. D. C., Almeida, L. R. de, Fonseca, R. D., et al. (2020). Benzenesulfonyl incorporated chalcones: synthesis, structural and optical properties. Journal of Molecular Structure, 1208, 127845-1-127845-11. doi:10.1016/j.molstruc.2020.127845
    • NLM

      Custodio JMF, Gotardo F, Vaz WF, D'Oliveira GDC, Almeida LR de, Fonseca RD, Cocca LHZ, Perez CN, De Boni L, Napolitano HB, Oliver AG. Benzenesulfonyl incorporated chalcones: synthesis, structural and optical properties [Internet]. Journal of Molecular Structure. 2020 ; 1208 127845-1-127845-11.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.127845
    • Vancouver

      Custodio JMF, Gotardo F, Vaz WF, D'Oliveira GDC, Almeida LR de, Fonseca RD, Cocca LHZ, Perez CN, De Boni L, Napolitano HB, Oliver AG. Benzenesulfonyl incorporated chalcones: synthesis, structural and optical properties [Internet]. Journal of Molecular Structure. 2020 ; 1208 127845-1-127845-11.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.127845
  • Source: Journal of Molecular Structure. Unidade: IQ

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

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      KHAN, Ezzat; KHALID, Muhammad; GUL, Zarif; et al. Molecular structure of 1,4-bis(substituted-carbonyl)benzene: a combined experimental and theoretical approach. Journal of Molecular Structure, Amsterdam, v. 1205, p. 1-14 art. 127633, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2019.127633 > DOI: 10.1016/j.molstruc.2019.127633.
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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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.127633
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: CALCOGÊNIOS, COMPOSTOS HETEROCÍCLICOS

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      ASAD, Mohammad; ARSHAD, Muhammad Nadeem; KHAN, Salman A; et al. Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies. Journal of Molecular Structure, Amsterdam, v. 1201, p. 1-14 art. 127186, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2019.127186 > DOI: 10.1016/j.molstruc.2019.127186.
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      Asad, M., Arshad, M. N., Khan, S. A., Oves, M., Khalid, M., Asiri, A. M., & Braga, A. A. C. (2020). Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies. Journal of Molecular Structure, 1201, 1-14 art. 127186. doi:10.1016/j.molstruc.2019.127186
    • NLM

      Asad M, Arshad MN, Khan SA, Oves M, Khalid M, Asiri AM, Braga AAC. Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies [Internet]. Journal of Molecular Structure. 2020 ; 1201 1-14 art. 127186.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.127186
    • Vancouver

      Asad M, Arshad MN, Khan SA, Oves M, Khalid M, Asiri AM, Braga AAC. Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies [Internet]. Journal of Molecular Structure. 2020 ; 1201 1-14 art. 127186.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.127186
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: PALÁDIO, RESSONÂNCIA MAGNÉTICA NUCLEAR

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      AKRAM, Muhammad; ADEEL, Muhammad; KHALID, 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, Amsterdam, v. 1213, p. 1-15 art. 128131, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.128131 > DOI: 10.1016/j.molstruc.2020.128131.
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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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.128131
  • Source: Journal of Molecular Structure. Unidade: IQSC

    Assunto: CATÁLISE

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      LIMA, Jackelinne C; NASCIMENTO, Rebecca D.; VILARINHO, Luana M.; et al. Group 10 metal complexes with a tetradentate thiosemicarbazonate ligand: Synthesis, crystal structures and computational insights into the catalysis for C–C coupling via Mizoroki-Heck reaction. Journal of Molecular Structure, Amsterdam, Elsevier, v. 1199, p. 126997, 2020. Disponível em: < https://doi.org/10.1016/j.molstruc.2019.126997 > DOI: 10.1016/j.molstruc.2019.126997.
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      Lima, J. C., Nascimento, R. D., Vilarinho, L. M., Borges, A. P., Silva, L. H. F., Souza, J. R., et al. (2020). Group 10 metal complexes with a tetradentate thiosemicarbazonate ligand: Synthesis, crystal structures and computational insights into the catalysis for C–C coupling via Mizoroki-Heck reaction. Journal of Molecular Structure, 1199, 126997. doi:10.1016/j.molstruc.2019.126997
    • NLM

      Lima JC, Nascimento RD, Vilarinho LM, Borges AP, Silva LHF, Souza JR, Dinelli LR, Deflon VM, Machado AE da H, Bogado AL, Pedro I.S. Group 10 metal complexes with a tetradentate thiosemicarbazonate ligand: Synthesis, crystal structures and computational insights into the catalysis for C–C coupling via Mizoroki-Heck reaction [Internet]. Journal of Molecular Structure. 2020 ; 1199 126997.Available from: https://doi.org/10.1016/j.molstruc.2019.126997
    • Vancouver

      Lima JC, Nascimento RD, Vilarinho LM, Borges AP, Silva LHF, Souza JR, Dinelli LR, Deflon VM, Machado AE da H, Bogado AL, Pedro I.S. Group 10 metal complexes with a tetradentate thiosemicarbazonate ligand: Synthesis, crystal structures and computational insights into the catalysis for C–C coupling via Mizoroki-Heck reaction [Internet]. Journal of Molecular Structure. 2020 ; 1199 126997.Available from: https://doi.org/10.1016/j.molstruc.2019.126997
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: DIFRAÇÃO POR RAIOS X, ANÁLISE DE FOURIER

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      KHALID, Muhammad; ALI, Akbar; HAQ, Sadia; et al. O-4-Acetylamino-benzenesulfonylated pyrimidine derivatives: synthesis, SC-XRD, DFT analysis and electronic behaviour investigation. Journal of Molecular Structure, Amsterdam, v. 1224, p. 1-11 art. 129308, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.129308 > DOI: 10.1016/j.molstruc.2020.129308.
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      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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.129308
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: SULFONAMIDAS, INFECÇÕES BACTERIANAS, ALDEÍDOS

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      ARSHAD, Muhammad Nadeem; HUSSAIN, Mohammad Musarraf; ASIRI, Abdullah M; et al. A potent synthesis and supramolecular synthon hierarchy percipience of (E)-Nʹ-(Napthalen-1-yl-methylene)-benzenesulfonohydrazide and 1-Napthaldehyde: A combined experimental and DFT studies. Journal of Molecular Structure, Amsterdam, v. 1221, p. 1-8 art. 128797, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.128797 > DOI: 10.1016/j.molstruc.2020.128797.
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      Arshad, M. N., Hussain, M. M., Asiri, A. M., Khalid, M., Braga, A. A. C., & Rahman, M. M. (2020). A potent synthesis and supramolecular synthon hierarchy percipience of (E)-Nʹ-(Napthalen-1-yl-methylene)-benzenesulfonohydrazide and 1-Napthaldehyde: A combined experimental and DFT studies. Journal of Molecular Structure, 1221, 1-8 art. 128797. doi:10.1016/j.molstruc.2020.128797
    • NLM

      Arshad MN, Hussain MM, Asiri AM, Khalid M, Braga AAC, Rahman MM. A potent synthesis and supramolecular synthon hierarchy percipience of (E)-Nʹ-(Napthalen-1-yl-methylene)-benzenesulfonohydrazide and 1-Napthaldehyde: A combined experimental and DFT studies [Internet]. Journal of Molecular Structure. 2020 ; 1221 1-8 art. 128797.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.128797
    • Vancouver

      Arshad MN, Hussain MM, Asiri AM, Khalid M, Braga AAC, Rahman MM. A potent synthesis and supramolecular synthon hierarchy percipience of (E)-Nʹ-(Napthalen-1-yl-methylene)-benzenesulfonohydrazide and 1-Napthaldehyde: A combined experimental and DFT studies [Internet]. Journal of Molecular Structure. 2020 ; 1221 1-8 art. 128797.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.128797
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: SAIS, ÁCIDOS

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      HANIF, Muhammad; TAHIR, Muhammad Nawaz; MORAIS, Sara Figueirêdo de Alcântara; BRAGA, Ataualpa Albert Carmo; KHAN, Ezzat. 2-Amino-3-methylpyridinium, 2-amino-4-methylbenzothiazolium and 2-amino-5-chloropyridinium salts. experimental and theoretical findings. Journal of Molecular Structure, Amsterdam, v. 1222, p. 1-16 art. 128914, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.128914 > DOI: 10.1016/j.molstruc.2020.128914.
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      Hanif, M., Tahir, M. N., Morais, S. F. de A., Braga, A. A. C., & Khan, E. (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, Tahir MN, Morais SF de A, Braga AAC, Khan E. 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.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.128914
    • Vancouver

      Hanif M, Tahir MN, Morais SF de A, Braga AAC, Khan E. 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.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.128914
  • Source: Journal of Molecular Structure. Unidade: IFSC

    Subjects: FLAVONOIDES, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA), DIFRAÇÃO POR RAIOS X

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      NIQUINI, Fabiano M.; TENORIO, Juan C.; SILVA, Maria F. G. F.; et al. On the conformation, molecular interactions and electron density of a natural flavonoid derivative. Journal of Molecular Structure, Amsterdam, Elsevier BV, v. No 2020, p. 128632-1-128632-13, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.128632 > DOI: 10.1016/j.molstruc.2020.128632.
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      Niquini, F. M., Tenorio, J. C., Silva, M. F. G. F., Ribeiro, A. B., Wanderley, A., Ellena, J., & Corrêa, R. S. (2020). On the conformation, molecular interactions and electron density of a natural flavonoid derivative. Journal of Molecular Structure, No 2020, 128632-1-128632-13. doi:10.1016/j.molstruc.2020.128632
    • NLM

      Niquini FM, Tenorio JC, Silva MFGF, Ribeiro AB, Wanderley A, Ellena J, Corrêa RS. On the conformation, molecular interactions and electron density of a natural flavonoid derivative [Internet]. Journal of Molecular Structure. 2020 ; No 2020 128632-1-128632-13.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.128632
    • Vancouver

      Niquini FM, Tenorio JC, Silva MFGF, Ribeiro AB, Wanderley A, Ellena J, Corrêa RS. On the conformation, molecular interactions and electron density of a natural flavonoid derivative [Internet]. Journal of Molecular Structure. 2020 ; No 2020 128632-1-128632-13.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.128632
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: ANTIOXIDANTES, ENZIMAS, SAIS

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      KHAN, Ezzat; KHAN, Abdullah; GUL, Zarif; 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, Amsterdam, v. 1200, p. 1-15 art. 127126, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2019.127126 > DOI: 10.1016/j.molstruc.2019.127126.
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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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.127126
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: ANÁLISE ESPECTROSCÓPICA, ALCALOIDES

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    • ABNT

      TARIQ, Sobia; RAZA, Abdul Rauf; RUBAB, Syeda Laila; 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, Amsterdam, v. 1207, p. 1-16 art. 127803, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.127803 > DOI: 10.1016/j.molstruc.2020.127803.
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      Tariq, S., Raza, A. R., Rubab, S. L., Khalid, M., 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, Raza AR, Rubab SL, Khalid M, 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.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.127803
    • Vancouver

      Tariq S, Raza AR, Rubab SL, Khalid M, 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.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.127803
  • Source: Journal of Molecular Structure. Unidade: IFSC

    Subjects: CRISTALOGRAFIA, ESPECTROSCOPIA, STAPHYLOCOCCUS

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      SARTO, Luís Eduardo; BADARÓ, Wladimir Pereira Duarte; GOIS, Elba Pereira de; et al. Crystal structures and DFT analysis of Palladium(II) complexes with Schiff bases derived from N,N-dialkyl-p-phenylenediamines. Journal of Molecular Structure, Amsterdam, Elsevier BV, v. 1204, p. 127549-1-127549-14, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2019.127549 > DOI: 10.1016/j.molstruc.2019.127549.
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      Sarto, L. E., Badaró, W. P. D., Gois, E. P. de, Barbosa, M. I. F., Torres, C., Viana, R. B., et al. (2020). Crystal structures and DFT analysis of Palladium(II) complexes with Schiff bases derived from N,N-dialkyl-p-phenylenediamines. Journal of Molecular Structure, 1204, 127549-1-127549-14. doi:10.1016/j.molstruc.2019.127549
    • NLM

      Sarto LE, Badaró WPD, Gois EP de, Barbosa MIF, Torres C, Viana RB, Honorato J, Castellano EE, Almeida ET de. Crystal structures and DFT analysis of Palladium(II) complexes with Schiff bases derived from N,N-dialkyl-p-phenylenediamines [Internet]. Journal of Molecular Structure. 2020 ; 1204 127549-1-127549-14.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.127549
    • Vancouver

      Sarto LE, Badaró WPD, Gois EP de, Barbosa MIF, Torres C, Viana RB, Honorato J, Castellano EE, Almeida ET de. Crystal structures and DFT analysis of Palladium(II) complexes with Schiff bases derived from N,N-dialkyl-p-phenylenediamines [Internet]. Journal of Molecular Structure. 2020 ; 1204 127549-1-127549-14.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.127549
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: DIFRAÇÃO POR RAIOS X, ALCALOIDES

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    • ABNT

      TARIQ, Sobia; RAZA, Abdul Rauf; KHALID, Muhammad; et al. Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies. Journal of Molecular Structure, Amsterdam, v. 1203, p. 1-15 art. 127438, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2019.127438 > DOI: 10.1016/j.molstruc.2019.127438.
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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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.127438
  • Source: Journal of Molecular Structure. Unidades: IFSC, IQSC, IQ

    Subjects: CRISTALOGRAFIA, DIFRAÇÃO POR RAIOS X, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA)

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      ZANIN, Lucas Lima; PORTO, André Luiz Meleiro; JIMENEZ, David Esteban Quintero; et al. Synthesis and X-ray crystal structures of polyfunctionalized 4 H -chromene derivatives via tricomponent reaction with Knoevenagel adducts as intermediates in aqueous medium. Journal of Molecular Structure, Amsterdam, Elsevier BV, v. No 2020, p. 129226-1-129226-10, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.129226 > DOI: 10.1016/j.molstruc.2020.129226.
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      Zanin, L. L., Porto, A. L. M., Jimenez, D. E. Q., Jesus, M. P. de, Diniz, L. F., & Ellena, J. (2020). Synthesis and X-ray crystal structures of polyfunctionalized 4 H -chromene derivatives via tricomponent reaction with Knoevenagel adducts as intermediates in aqueous medium. Journal of Molecular Structure, No 2020, 129226-1-129226-10. doi:10.1016/j.molstruc.2020.129226
    • NLM

      Zanin LL, Porto ALM, Jimenez DEQ, Jesus MP de, Diniz LF, Ellena J. Synthesis and X-ray crystal structures of polyfunctionalized 4 H -chromene derivatives via tricomponent reaction with Knoevenagel adducts as intermediates in aqueous medium [Internet]. Journal of Molecular Structure. 2020 ; No 2020 129226-1-129226-10.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.129226
    • Vancouver

      Zanin LL, Porto ALM, Jimenez DEQ, Jesus MP de, Diniz LF, Ellena J. Synthesis and X-ray crystal structures of polyfunctionalized 4 H -chromene derivatives via tricomponent reaction with Knoevenagel adducts as intermediates in aqueous medium [Internet]. Journal of Molecular Structure. 2020 ; No 2020 129226-1-129226-10.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.129226
  • Source: Journal of Molecular Structure. Unidade: IFSC

    Subjects: CRISTALOGRAFIA, ESPECTROSCOPIA, STAPHYLOCOCCUS

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      FARFÁN, R. A.; ESPÍNDOLA, J. A.; GÓMEZ, M. I.; et al. Crystal structure of a lapacholate complex with Co(II), a potential antibacterial pharmaceutical. Journal of Molecular Structure, Amsterdam, Elsevier BV, v. 1180, p. 792-797, 2019. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2018.12.050 > DOI: 10.1016/j.molstruc.2018.12.050.
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      Farfán, R. A., Espíndola, J. A., Gómez, M. I., Audisio, M. C., Britos, M. L., Castellano, E. E., & Piro, O. E. (2019). Crystal structure of a lapacholate complex with Co(II), a potential antibacterial pharmaceutical. Journal of Molecular Structure, 1180, 792-797. doi:10.1016/j.molstruc.2018.12.050
    • NLM

      Farfán RA, Espíndola JA, Gómez MI, Audisio MC, Britos ML, Castellano EE, Piro OE. Crystal structure of a lapacholate complex with Co(II), a potential antibacterial pharmaceutical [Internet]. Journal of Molecular Structure. 2019 ; 1180 792-797.Available from: http://dx.doi.org/10.1016/j.molstruc.2018.12.050
    • Vancouver

      Farfán RA, Espíndola JA, Gómez MI, Audisio MC, Britos ML, Castellano EE, Piro OE. Crystal structure of a lapacholate complex with Co(II), a potential antibacterial pharmaceutical [Internet]. Journal of Molecular Structure. 2019 ; 1180 792-797.Available from: http://dx.doi.org/10.1016/j.molstruc.2018.12.050
  • Source: Journal of Molecular Structure. Unidade: IFSC

    Subjects: CRISTALOGRAFIA, PLANEJAMENTO DE FÁRMACOS, NEOPLASIAS DOS GENITAIS MASCULINOS

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      SILVEIRA, Rafael G.; CUNHA, Beatriz N.; TENÓRIO, Juan C.; et al. A simple alternative to prodrug: the hydrochloride salt monohydrate of the prostate anticancer drug abiraterone. Journal of Molecular Structure, Amsterdam, Elsevier BV, v. 1190, p. 165-170, 2019. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2019.04.068 > DOI: 10.1016/j.molstruc.2019.04.068.
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      Silveira, R. G., Cunha, B. N., Tenório, J. C., Aguiar, D. V. A. de, Souza, P. da C., Vaz, B. G., et al. (2019). A simple alternative to prodrug: the hydrochloride salt monohydrate of the prostate anticancer drug abiraterone. Journal of Molecular Structure, 1190, 165-170. doi:10.1016/j.molstruc.2019.04.068
    • NLM

      Silveira RG, Cunha BN, Tenório JC, Aguiar DVA de, Souza P da C, Vaz BG, Ellena J, Batista AA, Martins FT. A simple alternative to prodrug: the hydrochloride salt monohydrate of the prostate anticancer drug abiraterone [Internet]. Journal of Molecular Structure. 2019 ; 1190 165-170.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.04.068
    • Vancouver

      Silveira RG, Cunha BN, Tenório JC, Aguiar DVA de, Souza P da C, Vaz BG, Ellena J, Batista AA, Martins FT. A simple alternative to prodrug: the hydrochloride salt monohydrate of the prostate anticancer drug abiraterone [Internet]. Journal of Molecular Structure. 2019 ; 1190 165-170.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.04.068

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