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  • Source: Computational and Theoretical Chemistry. Unidade: IQSC

    Subjects: TERMODINÂMICA (FÍSICO-QUÍMICA), ISÔMERO

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      VIANA, Rommel Bezerra e SAVEDRA, Ranylson M. L e SILVA, Alberico Borges Ferreira da. A mechanistic view of the reaction between phosphine and fluorine atom: Insights into PH3F isomers. Computational and Theoretical Chemistry, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.comptc.2022.113769. Acesso em: 02 out. 2022.
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      Viana, R. B., Savedra, R. M. L., & Silva, A. B. F. da. (2022). A mechanistic view of the reaction between phosphine and fluorine atom: Insights into PH3F isomers. Computational and Theoretical Chemistry. doi:10.1016/j.comptc.2022.113769
    • NLM

      Viana RB, Savedra RML, Silva ABF da. A mechanistic view of the reaction between phosphine and fluorine atom: Insights into PH3F isomers [Internet]. Computational and Theoretical Chemistry. 2022 ;[citado 2022 out. 02 ] Available from: https://doi.org/10.1016/j.comptc.2022.113769
    • Vancouver

      Viana RB, Savedra RML, Silva ABF da. A mechanistic view of the reaction between phosphine and fluorine atom: Insights into PH3F isomers [Internet]. Computational and Theoretical Chemistry. 2022 ;[citado 2022 out. 02 ] Available from: https://doi.org/10.1016/j.comptc.2022.113769
  • Source: Biomolecules. Unidade: IQSC

    Subjects: BIOQUÍMICA, BIOLOGIA MOLECULAR, ESQUIZOFRENIA

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      OLIVEIRA, Aline A et al. Examining the effect of charged lipids on mitochondrial outer membrane dynamics using atomistic simulations. Biomolecules, v. 12, n. 2, p. 183-197, 2022Tradução . . Disponível em: https://doi.org/10.3390/biom12020183. Acesso em: 02 out. 2022.
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      Oliveira, A. A., Róg, T., Silva, A. B. F. da, Amaro, R. E., Johnson, M. S., & Postila, P. A. (2022). Examining the effect of charged lipids on mitochondrial outer membrane dynamics using atomistic simulations. Biomolecules, 12( 2), 183-197. doi:10.3390/biom12020183
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      Oliveira AA, Róg T, Silva ABF da, Amaro RE, Johnson MS, Postila PA. Examining the effect of charged lipids on mitochondrial outer membrane dynamics using atomistic simulations [Internet]. Biomolecules. 2022 ; 12( 2): 183-197.[citado 2022 out. 02 ] Available from: https://doi.org/10.3390/biom12020183
    • Vancouver

      Oliveira AA, Róg T, Silva ABF da, Amaro RE, Johnson MS, Postila PA. Examining the effect of charged lipids on mitochondrial outer membrane dynamics using atomistic simulations [Internet]. Biomolecules. 2022 ; 12( 2): 183-197.[citado 2022 out. 02 ] Available from: https://doi.org/10.3390/biom12020183
  • Source: Applied Surface Science. Unidades: IF, IQSC

    Subject: QUÍMICA QUÂNTICA

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      ASSIS, Marcelo et al. Bridging experiment and theory: morphology, optical, electronic, and magnetic properties of MnWO4. Applied Surface Science, v. 600, p. 154081, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.apsusc.2022.154081. Acesso em: 02 out. 2022.
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      Assis, M., Tello, A. C. M., Abud, F. S. A., Negre, P., Ribeiro, L. K., Ribeiro, R. A. P., et al. (2022). Bridging experiment and theory: morphology, optical, electronic, and magnetic properties of MnWO4. Applied Surface Science, 600, 154081. doi:10.1016/j.apsusc.2022.154081
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      Assis M, Tello ACM, Abud FSA, Negre P, Ribeiro LK, Ribeiro RAP, Masunaga SH, Lima AEB, Luz Jr GE, Jardim R de F, Silva ABF da, Andres J, Longo E. Bridging experiment and theory: morphology, optical, electronic, and magnetic properties of MnWO4 [Internet]. Applied Surface Science. 2022 ; 600 154081.[citado 2022 out. 02 ] Available from: https://doi.org/10.1016/j.apsusc.2022.154081
    • Vancouver

      Assis M, Tello ACM, Abud FSA, Negre P, Ribeiro LK, Ribeiro RAP, Masunaga SH, Lima AEB, Luz Jr GE, Jardim R de F, Silva ABF da, Andres J, Longo E. Bridging experiment and theory: morphology, optical, electronic, and magnetic properties of MnWO4 [Internet]. Applied Surface Science. 2022 ; 600 154081.[citado 2022 out. 02 ] Available from: https://doi.org/10.1016/j.apsusc.2022.154081
  • Source: Journal of Brazilian Chemical Society. Unidade: IQSC

    Subjects: RADICAIS LIVRES, ERITRÓCITOS, ANTIOXIDANTES

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      BARROS, Valéria A. et al. A Theoretical Antioxidant Mechanism for Cytoprotective Effect of p-AcetamideSalicylate Derivatives against Free Radical Initiator AAPH in Human Erythrocytes. Journal of Brazilian Chemical Society, v. 32, n. 7, p. 1354-1360, 2021Tradução . . Disponível em: https://dx.doi.org/10.21577/0103-5053.20210033. Acesso em: 02 out. 2022.
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      Barros, V. A., Pereira, G. A. N., Ota, S. S. B., Melo, F. P. A., Jesus, A. C. S. P. S. de, Lima, A. B., et al. (2021). A Theoretical Antioxidant Mechanism for Cytoprotective Effect of p-AcetamideSalicylate Derivatives against Free Radical Initiator AAPH in Human Erythrocytes. Journal of Brazilian Chemical Society, 32( 7), 1354-1360. doi:10.21577/0103-5053.20210033
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      Barros VA, Pereira GAN, Ota SSB, Melo FPA, Jesus ACSPS de, Lima AB, Silva ABF da, Borges RS. A Theoretical Antioxidant Mechanism for Cytoprotective Effect of p-AcetamideSalicylate Derivatives against Free Radical Initiator AAPH in Human Erythrocytes [Internet]. Journal of Brazilian Chemical Society. 2021 ; 32( 7): 1354-1360.[citado 2022 out. 02 ] Available from: https://dx.doi.org/10.21577/0103-5053.20210033
    • Vancouver

      Barros VA, Pereira GAN, Ota SSB, Melo FPA, Jesus ACSPS de, Lima AB, Silva ABF da, Borges RS. A Theoretical Antioxidant Mechanism for Cytoprotective Effect of p-AcetamideSalicylate Derivatives against Free Radical Initiator AAPH in Human Erythrocytes [Internet]. Journal of Brazilian Chemical Society. 2021 ; 32( 7): 1354-1360.[citado 2022 out. 02 ] Available from: https://dx.doi.org/10.21577/0103-5053.20210033
  • Source: Structural Chemistry. Unidades: EACH, IQSC

    Subjects: ESQUIZOFRENIA, QUÍMICA

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      SILVA, Aldineia Pereira da et al. New D2R partial agonist candidates:: an in silico approach from statistical models, molecular docking, and ADME/Tox propertie. Structural Chemistry, v. 32, p. 2019–2033, 2021Tradução . . Disponível em: https://doi.org/10.1007/s11224-021-01742-w. Acesso em: 02 out. 2022.
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      Silva, A. P. da, Chiari, L. P. A., Guimaraes, A. R., Honório, K. M., & Silva, A. B. F. da. (2021). New D2R partial agonist candidates:: an in silico approach from statistical models, molecular docking, and ADME/Tox propertie. Structural Chemistry, 32, 2019–2033. doi:10.1007/s11224-021-01742-w
    • NLM

      Silva AP da, Chiari LPA, Guimaraes AR, Honório KM, Silva ABF da. New D2R partial agonist candidates:: an in silico approach from statistical models, molecular docking, and ADME/Tox propertie [Internet]. Structural Chemistry. 2021 ; 32 2019–2033.[citado 2022 out. 02 ] Available from: https://doi.org/10.1007/s11224-021-01742-w
    • Vancouver

      Silva AP da, Chiari LPA, Guimaraes AR, Honório KM, Silva ABF da. New D2R partial agonist candidates:: an in silico approach from statistical models, molecular docking, and ADME/Tox propertie [Internet]. Structural Chemistry. 2021 ; 32 2019–2033.[citado 2022 out. 02 ] Available from: https://doi.org/10.1007/s11224-021-01742-w
  • Source: Journal of Molecular Modeling: computational chemistry - life science - advanced materials - new methods. Unidades: EACH, IQSC

    Subjects: DEPRESSÃO, ANTIDEPRESSIVOS

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      SANTOS, Genisson R. et al. A partial least squares and artifcial neural network study for a series of arylpiperazines as antidepressant agents. Journal of Molecular Modeling: computational chemistry - life science - advanced materials - new methods, p. 297, 2021Tradução . . Disponível em: https://doi.org/10.1007/s00894-021-04906-x. Acesso em: 02 out. 2022.
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      Santos, G. R., Chiari, L. P. A., Silva, A. P. da, Lipinski, C. F., Oliveira, A. A., Honório, K. M., et al. (2021). A partial least squares and artifcial neural network study for a series of arylpiperazines as antidepressant agents. Journal of Molecular Modeling: computational chemistry - life science - advanced materials - new methods, 297. doi:10.1007/s00894-021-04906-x
    • NLM

      Santos GR, Chiari LPA, Silva AP da, Lipinski CF, Oliveira AA, Honório KM, Sousa AG de, Silva ABF da. A partial least squares and artifcial neural network study for a series of arylpiperazines as antidepressant agents [Internet]. Journal of Molecular Modeling: computational chemistry - life science - advanced materials - new methods. 2021 ;297.[citado 2022 out. 02 ] Available from: https://doi.org/10.1007/s00894-021-04906-x
    • Vancouver

      Santos GR, Chiari LPA, Silva AP da, Lipinski CF, Oliveira AA, Honório KM, Sousa AG de, Silva ABF da. A partial least squares and artifcial neural network study for a series of arylpiperazines as antidepressant agents [Internet]. Journal of Molecular Modeling: computational chemistry - life science - advanced materials - new methods. 2021 ;297.[citado 2022 out. 02 ] Available from: https://doi.org/10.1007/s00894-021-04906-x
  • Source: Journal of Molecular Graphics and Modelling. Unidades: IQSC, EACH

    Subjects: DOENÇA DE ALZHEIMER, HALOGÊNIOS

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      SILVA, Aldineia Pereira da et al. Drug design of new 5-HT6R antagonists aided by artificial neural networks. Journal of Molecular Graphics and Modelling, v. 104, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.jmgm.2021.107844. Acesso em: 02 out. 2022.
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      Silva, A. P. da, Chiari, L. P. A., Guimaraes, A. R., Honório, K. M., & Silva, A. B. F. da. (2021). Drug design of new 5-HT6R antagonists aided by artificial neural networks. Journal of Molecular Graphics and Modelling, 104. doi:10.1016/j.jmgm.2021.107844
    • NLM

      Silva AP da, Chiari LPA, Guimaraes AR, Honório KM, Silva ABF da. Drug design of new 5-HT6R antagonists aided by artificial neural networks [Internet]. Journal of Molecular Graphics and Modelling. 2021 ; 104[citado 2022 out. 02 ] Available from: https://doi.org/10.1016/j.jmgm.2021.107844
    • Vancouver

      Silva AP da, Chiari LPA, Guimaraes AR, Honório KM, Silva ABF da. Drug design of new 5-HT6R antagonists aided by artificial neural networks [Internet]. Journal of Molecular Graphics and Modelling. 2021 ; 104[citado 2022 out. 02 ] Available from: https://doi.org/10.1016/j.jmgm.2021.107844
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: SÓDIO, CLORO

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      GUIMARAES, Amanda Ribeiro et al. Generation, contraction, and polarisation of Gaussian basis sets for atomic and molecular calculations using the generator coordinate method with polynomial discretisation: atoms from Na through Cl. Physical Chemistry Chemical Physics, v. 23, 2021Tradução . . Disponível em: https://doi.org/10.1039/d1cp01879e. Acesso em: 02 out. 2022.
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      Guimaraes, A. R., Barbosa, R. C., Tello, A. C. M., Silva, A. P. da, Alves, J. M. A., Maringolo, M. P., & Silva, A. B. F. da. (2021). Generation, contraction, and polarisation of Gaussian basis sets for atomic and molecular calculations using the generator coordinate method with polynomial discretisation: atoms from Na through Cl. Physical Chemistry Chemical Physics, 23. doi:10.1039/d1cp01879e
    • NLM

      Guimaraes AR, Barbosa RC, Tello ACM, Silva AP da, Alves JMA, Maringolo MP, Silva ABF da. Generation, contraction, and polarisation of Gaussian basis sets for atomic and molecular calculations using the generator coordinate method with polynomial discretisation: atoms from Na through Cl [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23[citado 2022 out. 02 ] Available from: https://doi.org/10.1039/d1cp01879e
    • Vancouver

      Guimaraes AR, Barbosa RC, Tello ACM, Silva AP da, Alves JMA, Maringolo MP, Silva ABF da. Generation, contraction, and polarisation of Gaussian basis sets for atomic and molecular calculations using the generator coordinate method with polynomial discretisation: atoms from Na through Cl [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23[citado 2022 out. 02 ] Available from: https://doi.org/10.1039/d1cp01879e
  • Source: Journal of Molecular Structure. Unidades: EACH, IQSC

    Subjects: QUALIDADE DE VIDA, NEUROLOGIA

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      CHIARI, Laise Pellegrini Alencar 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, v. 1223, p. 129156, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2020.129156. Acesso em: 02 out. 2022.
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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
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      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.[citado 2022 out. 02 ] 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.[citado 2022 out. 02 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129156
  • Source: Analytical Letters. Unidade: IQSC

    Subjects: ELETRODO, POLÍMEROS (MATERIAIS)

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      CLARINDO, João Paulo et al. Determination of Tetracycline Using a Graphite- Polyurethane Composite Electrode Modified with a Molecularly Imprinted Polymer. Analytical Letters, v. 53, n. 12, p. 1932-1955, 2020Tradução . . Disponível em: https://doi.org/10.1080/00032719.2020.1725540. Acesso em: 02 out. 2022.
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      Clarindo, J. P., Viana, R. B., Cervini, P., Silva, A. B. F. da, & Cavalheiro, E. T. G. (2020). Determination of Tetracycline Using a Graphite- Polyurethane Composite Electrode Modified with a Molecularly Imprinted Polymer. Analytical Letters, 53( 12), 1932-1955. doi:10.1080/00032719.2020.1725540
    • NLM

      Clarindo JP, Viana RB, Cervini P, Silva ABF da, Cavalheiro ETG. Determination of Tetracycline Using a Graphite- Polyurethane Composite Electrode Modified with a Molecularly Imprinted Polymer [Internet]. Analytical Letters. 2020 ; 53( 12): 1932-1955.[citado 2022 out. 02 ] Available from: https://doi.org/10.1080/00032719.2020.1725540
    • Vancouver

      Clarindo JP, Viana RB, Cervini P, Silva ABF da, Cavalheiro ETG. Determination of Tetracycline Using a Graphite- Polyurethane Composite Electrode Modified with a Molecularly Imprinted Polymer [Internet]. Analytical Letters. 2020 ; 53( 12): 1932-1955.[citado 2022 out. 02 ] Available from: https://doi.org/10.1080/00032719.2020.1725540
  • Source: Saudi Pharmaceutical Journal. Unidade: IQSC

    Subject: ANTIOXIDANTES

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      QUEIROZ, Aureikson N et al. Experimental and theoretical study on structure-tautomerism among edaravone, isoxazolone, and their heterocycles derivatives as antioxidants. Saudi Pharmaceutical Journal, v. 28, n. 7, p. 819-827, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.jsps.2020.06.001. Acesso em: 02 out. 2022.
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      Queiroz, A. N., Martins, C. C., Santos, K. L. B. dos, Carvalho, E. S., Owiti, A. O., Oliveira, K. R. M., et al. (2020). Experimental and theoretical study on structure-tautomerism among edaravone, isoxazolone, and their heterocycles derivatives as antioxidants. Saudi Pharmaceutical Journal, 28( 7), 819-827. doi:10.1016/j.jsps.2020.06.001
    • NLM

      Queiroz AN, Martins CC, Santos KLB dos, Carvalho ES, Owiti AO, Oliveira KRM, Herculano AM, Silva ABF da, Borges RS. Experimental and theoretical study on structure-tautomerism among edaravone, isoxazolone, and their heterocycles derivatives as antioxidants [Internet]. Saudi Pharmaceutical Journal. 2020 ; 28( 7): 819-827.[citado 2022 out. 02 ] Available from: https://doi.org/10.1016/j.jsps.2020.06.001
    • Vancouver

      Queiroz AN, Martins CC, Santos KLB dos, Carvalho ES, Owiti AO, Oliveira KRM, Herculano AM, Silva ABF da, Borges RS. Experimental and theoretical study on structure-tautomerism among edaravone, isoxazolone, and their heterocycles derivatives as antioxidants [Internet]. Saudi Pharmaceutical Journal. 2020 ; 28( 7): 819-827.[citado 2022 out. 02 ] Available from: https://doi.org/10.1016/j.jsps.2020.06.001
  • Source: Theoretical Chemistry Accounts. Unidade: IQSC

    Subjects: QUÍMICA TEÓRICA, ELÉTRONS

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      AMARAL, Rafael Costa et al. Accurate atomic electron afnities calculated by using anionic Gaussian basis sets. Theoretical Chemistry Accounts, v. 139, p. 128, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00214-020-02629-5. Acesso em: 02 out. 2022.
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      Amaral, R. C., Tello, A. C. M., Colmar Junior, M., & Silva, A. B. F. da. (2020). Accurate atomic electron afnities calculated by using anionic Gaussian basis sets. Theoretical Chemistry Accounts, 139, 128. doi:10.1007/s00214-020-02629-5
    • NLM

      Amaral RC, Tello ACM, Colmar Junior M, Silva ABF da. Accurate atomic electron afnities calculated by using anionic Gaussian basis sets [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 128.[citado 2022 out. 02 ] Available from: https://doi.org/10.1007/s00214-020-02629-5
    • Vancouver

      Amaral RC, Tello ACM, Colmar Junior M, Silva ABF da. Accurate atomic electron afnities calculated by using anionic Gaussian basis sets [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 128.[citado 2022 out. 02 ] Available from: https://doi.org/10.1007/s00214-020-02629-5
  • Source: Inorganic Chemistry. Unidade: IQSC

    Subjects: IRRADIAÇÃO, FOSFATOS, BISMUTO, QUÍMICA INORGÂNICA

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      TELLO, Ana Cristina Mora et al. Microwave-Driven Hexagonal-to-Monoclinic Transition in BiPO4: An In-Depth Experimental Investigation and First-Principles Study. Inorganic Chemistry, v. 59, n. 11, p. 7453–7468 May, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.inorgchem.0c00181. Acesso em: 02 out. 2022.
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      Tello, A. C. M., Assis, M., Menasce, R., Gouveia, A. F., Teodoro, V., Jacomaci, N., et al. (2020). Microwave-Driven Hexagonal-to-Monoclinic Transition in BiPO4: An In-Depth Experimental Investigation and First-Principles Study. Inorganic Chemistry, 59( 11), 7453–7468 May. doi:10.1021/acs.inorgchem.0c00181
    • NLM

      Tello ACM, Assis M, Menasce R, Gouveia AF, Teodoro V, Jacomaci N, Zaghete MA, Andres J, Marques GE, Teodoro MD, Silva ABF da, Bettini J, Longo E. Microwave-Driven Hexagonal-to-Monoclinic Transition in BiPO4: An In-Depth Experimental Investigation and First-Principles Study [Internet]. Inorganic Chemistry. 2020 ; 59( 11): 7453–7468 May.[citado 2022 out. 02 ] Available from: https://doi.org/10.1021/acs.inorgchem.0c00181
    • Vancouver

      Tello ACM, Assis M, Menasce R, Gouveia AF, Teodoro V, Jacomaci N, Zaghete MA, Andres J, Marques GE, Teodoro MD, Silva ABF da, Bettini J, Longo E. Microwave-Driven Hexagonal-to-Monoclinic Transition in BiPO4: An In-Depth Experimental Investigation and First-Principles Study [Internet]. Inorganic Chemistry. 2020 ; 59( 11): 7453–7468 May.[citado 2022 out. 02 ] Available from: https://doi.org/10.1021/acs.inorgchem.0c00181
  • Source: Structural Chemistry: computational and experimental studies of chemical and biological systems. Unidades: EACH, IQSC

    Subject: QUÍMICA MÉDICA

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      SILVA, Aldineia Pereira da et al. Drug design of new 5-HT6 antagonists: a QSAR study of arylsulfonamide derivatives. Structural Chemistry: computational and experimental studies of chemical and biological systems, v. 31, p. 1585–1597, 2020Tradução . . Disponível em: https://link.springer.com/article/10.1007/s11224-020-01513-z. Acesso em: 02 out. 2022.
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      Silva, A. P. da, Angelo, R. M. de, Paula, H. D., Honório, K. M., & Silva, A. B. F. da. (2020). Drug design of new 5-HT6 antagonists: a QSAR study of arylsulfonamide derivatives. Structural Chemistry: computational and experimental studies of chemical and biological systems, 31, 1585–1597. doi:10.1007/s11224-020-01513-z
    • NLM

      Silva AP da, Angelo RM de, Paula HD, Honório KM, Silva ABF da. Drug design of new 5-HT6 antagonists: a QSAR study of arylsulfonamide derivatives [Internet]. Structural Chemistry: computational and experimental studies of chemical and biological systems. 2020 ; 31 1585–1597.[citado 2022 out. 02 ] Available from: https://link.springer.com/article/10.1007/s11224-020-01513-z
    • Vancouver

      Silva AP da, Angelo RM de, Paula HD, Honório KM, Silva ABF da. Drug design of new 5-HT6 antagonists: a QSAR study of arylsulfonamide derivatives [Internet]. Structural Chemistry: computational and experimental studies of chemical and biological systems. 2020 ; 31 1585–1597.[citado 2022 out. 02 ] Available from: https://link.springer.com/article/10.1007/s11224-020-01513-z
  • Source: Journal of Molecular Modeling. Unidade: IQSC

    Subjects: QUÍMICA TEÓRICA, POLARIZAÇÃO, MOLÉCULA

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      MARINGOLO, Milena Palhares et al. On polarization functions for Gaussian basis sets. Journal of Molecular Modeling, v. 26, p. 293 sept.2020, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00894-020-04538-7. Acesso em: 02 out. 2022.
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      Maringolo, M. P., Tello, A. C. M., Guimaraes, A. R., Alves, J. M. A., Lima, F. das C. A., Longo, E., & Silva, A. B. F. da. (2020). On polarization functions for Gaussian basis sets. Journal of Molecular Modeling, 26, 293 sept.2020. doi:10.1007/s00894-020-04538-7
    • NLM

      Maringolo MP, Tello ACM, Guimaraes AR, Alves JMA, Lima F das CA, Longo E, Silva ABF da. On polarization functions for Gaussian basis sets [Internet]. Journal of Molecular Modeling. 2020 ; 26 293 sept.2020.[citado 2022 out. 02 ] Available from: https://doi.org/10.1007/s00894-020-04538-7
    • Vancouver

      Maringolo MP, Tello ACM, Guimaraes AR, Alves JMA, Lima F das CA, Longo E, Silva ABF da. On polarization functions for Gaussian basis sets [Internet]. Journal of Molecular Modeling. 2020 ; 26 293 sept.2020.[citado 2022 out. 02 ] Available from: https://doi.org/10.1007/s00894-020-04538-7
  • Source: Journal of the Brazilian Chemical Society. Unidades: IQSC, IFSC

    Subjects: NEOPLASIAS, QUIMIOTERÁPICOS, RUTÊNIO, NEOPLASIAS MAMÁRIAS

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      LIMA, Benedicto A. V. et al. New heteroleptic RuII/Diphosphine complexes with cytotoxicity against human breast and murine ascitic sarcoma 180 tumor cells. Journal of the Brazilian Chemical Society, v. 31, n. 7, p. 1352-1361, 2020Tradução . . Disponível em: http://dx.doi.org/10.21577/0103-5053.20200020. Acesso em: 02 out. 2022.
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      Lima, B. A. V., Corrêa, R. S., Graminha, A. E., Varela Júnior, J. J. G., Silva, A. B. F. da, Ellena, J., et al. (2020). New heteroleptic RuII/Diphosphine complexes with cytotoxicity against human breast and murine ascitic sarcoma 180 tumor cells. Journal of the Brazilian Chemical Society, 31( 7), 1352-1361. doi:10.21577/0103-5053.20200020
    • NLM

      Lima BAV, Corrêa RS, Graminha AE, Varela Júnior JJG, Silva ABF da, Ellena J, Silva TEM, Batista AA. New heteroleptic RuII/Diphosphine complexes with cytotoxicity against human breast and murine ascitic sarcoma 180 tumor cells [Internet]. Journal of the Brazilian Chemical Society. 2020 ; 31( 7): 1352-1361.[citado 2022 out. 02 ] Available from: http://dx.doi.org/10.21577/0103-5053.20200020
    • Vancouver

      Lima BAV, Corrêa RS, Graminha AE, Varela Júnior JJG, Silva ABF da, Ellena J, Silva TEM, Batista AA. New heteroleptic RuII/Diphosphine complexes with cytotoxicity against human breast and murine ascitic sarcoma 180 tumor cells [Internet]. Journal of the Brazilian Chemical Society. 2020 ; 31( 7): 1352-1361.[citado 2022 out. 02 ] Available from: http://dx.doi.org/10.21577/0103-5053.20200020
  • Source: Livro de Resumo. Conference title: Simpósio Brasileiro de Química Teórica - SBQT. Unidade: IQSC

    Subjects: QUÍMICA TEÓRICA, DEPRESSÃO

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      SANTOS, Gênisson dos Reis et al. Elaboração de Modelos Preditivos da Atividade Biológica de uma Série de Compostos Arilpiperazínicos frente ao Receptor 5-HT2a. 2019, Anais.. João Pessoa: Universidade Federal da Paraiba, 2019. Disponível em: https://repositorio.usp.br/directbitstream/abf00836-b0c0-4cf2-aadf-e73e2732326f/P18505.pdf. Acesso em: 02 out. 2022.
    • APA

      Santos, G. dos R., Lipinski, C. F., Oliveira, A. A., & Silva, A. B. F. da. (2019). Elaboração de Modelos Preditivos da Atividade Biológica de uma Série de Compostos Arilpiperazínicos frente ao Receptor 5-HT2a. In Livro de Resumo. João Pessoa: Universidade Federal da Paraiba. Recuperado de https://repositorio.usp.br/directbitstream/abf00836-b0c0-4cf2-aadf-e73e2732326f/P18505.pdf
    • NLM

      Santos G dos R, Lipinski CF, Oliveira AA, Silva ABF da. Elaboração de Modelos Preditivos da Atividade Biológica de uma Série de Compostos Arilpiperazínicos frente ao Receptor 5-HT2a [Internet]. Livro de Resumo. 2019 ;[citado 2022 out. 02 ] Available from: https://repositorio.usp.br/directbitstream/abf00836-b0c0-4cf2-aadf-e73e2732326f/P18505.pdf
    • Vancouver

      Santos G dos R, Lipinski CF, Oliveira AA, Silva ABF da. Elaboração de Modelos Preditivos da Atividade Biológica de uma Série de Compostos Arilpiperazínicos frente ao Receptor 5-HT2a [Internet]. Livro de Resumo. 2019 ;[citado 2022 out. 02 ] Available from: https://repositorio.usp.br/directbitstream/abf00836-b0c0-4cf2-aadf-e73e2732326f/P18505.pdf
  • Source: Anais. Conference title: Congresso Brasileiro de Química. Unidade: IQSC

    Subject: CINÉTICA QUÍMICA

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      VICHIETTI, Rafael Mario et al. Explicação teórica das particularidades cinéticas observadas experimentalmente para a reação entre CH e CO[SUB]2[/SUB]. 2019, Anais.. João Pessoa: Associação Brasileira de Química (ABQ), 2019. Disponível em: https://repositorio.usp.br/directbitstream/a065ce9f-0425-4fcd-8958-fe63bc5d8b27/P18471.pdf. Acesso em: 02 out. 2022.
    • APA

      Vichietti, R. M., Spada, R. F. K., Silva, A. B. F. da, Machado, F. B. C., & Haiduke, R. L. A. (2019). Explicação teórica das particularidades cinéticas observadas experimentalmente para a reação entre CH e CO[SUB]2[/SUB]. In Anais. João Pessoa: Associação Brasileira de Química (ABQ). Recuperado de https://repositorio.usp.br/directbitstream/a065ce9f-0425-4fcd-8958-fe63bc5d8b27/P18471.pdf
    • NLM

      Vichietti RM, Spada RFK, Silva ABF da, Machado FBC, Haiduke RLA. Explicação teórica das particularidades cinéticas observadas experimentalmente para a reação entre CH e CO[SUB]2[/SUB] [Internet]. Anais. 2019 ;[citado 2022 out. 02 ] Available from: https://repositorio.usp.br/directbitstream/a065ce9f-0425-4fcd-8958-fe63bc5d8b27/P18471.pdf
    • Vancouver

      Vichietti RM, Spada RFK, Silva ABF da, Machado FBC, Haiduke RLA. Explicação teórica das particularidades cinéticas observadas experimentalmente para a reação entre CH e CO[SUB]2[/SUB] [Internet]. Anais. 2019 ;[citado 2022 out. 02 ] Available from: https://repositorio.usp.br/directbitstream/a065ce9f-0425-4fcd-8958-fe63bc5d8b27/P18471.pdf
  • Source: The Astrophysical Journal Supplement Series. Unidade: IQSC

    Subjects: ASTROQUÍMICA, ATMOSFERA, REAÇÕES QUÍMICAS

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      VICHIETTI, Rafael Mario et al. Could HCN Be Responsible for the Formamide Synthesis in Earth’s Primitive Atmosphere?. The Astrophysical Journal Supplement Series, v. 245, 2019Tradução . . Disponível em: https://doi.org/10.3847/1538-4365/ab4991. Acesso em: 02 out. 2022.
    • APA

      Vichietti, R. M., Spada, R. F. K., Silva, A. B. F. da, Machado, F. B. C., & Haiduke, R. L. A. (2019). Could HCN Be Responsible for the Formamide Synthesis in Earth’s Primitive Atmosphere? The Astrophysical Journal Supplement Series, 245. doi:10.3847/1538-4365/ab4991
    • NLM

      Vichietti RM, Spada RFK, Silva ABF da, Machado FBC, Haiduke RLA. Could HCN Be Responsible for the Formamide Synthesis in Earth’s Primitive Atmosphere? [Internet]. The Astrophysical Journal Supplement Series. 2019 ; 245[citado 2022 out. 02 ] Available from: https://doi.org/10.3847/1538-4365/ab4991
    • Vancouver

      Vichietti RM, Spada RFK, Silva ABF da, Machado FBC, Haiduke RLA. Could HCN Be Responsible for the Formamide Synthesis in Earth’s Primitive Atmosphere? [Internet]. The Astrophysical Journal Supplement Series. 2019 ; 245[citado 2022 out. 02 ] Available from: https://doi.org/10.3847/1538-4365/ab4991
  • Source: Journal of Molecular Structure. Unidades: IQSC, EACH

    Subject: CRISTALOGRAFIA

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      SANTOS, Sinara de Fátima Freire dos et al. Crystal packing of a zinc(II)-azide complex with a N,N,S-tridentate thiosemicarbazone ligand: An experimental and computational study. Journal of Molecular Structure, v. 1197, p. 393-400, 2019Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2019.07.045. Acesso em: 02 out. 2022.
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      Santos, S. de F. F. dos, Oliveira, A. A., Santos, G. dos R., Mahmoudi, G., Afkhami, F. A., Santiago, P. S., et al. (2019). Crystal packing of a zinc(II)-azide complex with a N,N,S-tridentate thiosemicarbazone ligand: An experimental and computational study. Journal of Molecular Structure, 1197, 393-400. doi:10.1016/j.molstruc.2019.07.045
    • NLM

      Santos S de FF dos, Oliveira AA, Santos G dos R, Mahmoudi G, Afkhami FA, Santiago PS, Viana RB, Silva ABF da, Santos RH de A. Crystal packing of a zinc(II)-azide complex with a N,N,S-tridentate thiosemicarbazone ligand: An experimental and computational study [Internet]. Journal of Molecular Structure. 2019 ; 1197 393-400.[citado 2022 out. 02 ] Available from: https://doi.org/10.1016/j.molstruc.2019.07.045
    • Vancouver

      Santos S de FF dos, Oliveira AA, Santos G dos R, Mahmoudi G, Afkhami FA, Santiago PS, Viana RB, Silva ABF da, Santos RH de A. Crystal packing of a zinc(II)-azide complex with a N,N,S-tridentate thiosemicarbazone ligand: An experimental and computational study [Internet]. Journal of Molecular Structure. 2019 ; 1197 393-400.[citado 2022 out. 02 ] Available from: https://doi.org/10.1016/j.molstruc.2019.07.045

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