Filtros : "IQSC" "HAIDUKE, ROBERTO LUIZ ANDRADE" Limpar

Filtros



Refine with date range


  • Source: Journal of Photochemistry and Photobiology, A: Chemistry. Unidade: IQSC

    Subjects: ESTRUTURA ELETRÔNICA, QUÍMICA TEÓRICA

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      MENDES, Rodrigo Araujo e MATA, V.A.S. da e HAIDUKE, Roberto Luiz Andrade. An electronic structure investigation of excited state intramolecular proton transfer in amino-benzazole derivatives: Relative energies and electron density descriptors. Journal of Photochemistry and Photobiology, A: Chemistry, v. 441, p. 114738, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.jphotochem.2023.114738. Acesso em: 07 dez. 2023.
    • APA

      Mendes, R. A., Mata, V. A. S. da, & Haiduke, R. L. A. (2023). An electronic structure investigation of excited state intramolecular proton transfer in amino-benzazole derivatives: Relative energies and electron density descriptors. Journal of Photochemistry and Photobiology, A: Chemistry, 441, 114738. doi:10.1016/j.jphotochem.2023.114738
    • NLM

      Mendes RA, Mata VAS da, Haiduke RLA. An electronic structure investigation of excited state intramolecular proton transfer in amino-benzazole derivatives: Relative energies and electron density descriptors [Internet]. Journal of Photochemistry and Photobiology, A: Chemistry. 2023 ;441 114738.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1016/j.jphotochem.2023.114738
    • Vancouver

      Mendes RA, Mata VAS da, Haiduke RLA. An electronic structure investigation of excited state intramolecular proton transfer in amino-benzazole derivatives: Relative energies and electron density descriptors [Internet]. Journal of Photochemistry and Photobiology, A: Chemistry. 2023 ;441 114738.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1016/j.jphotochem.2023.114738
  • Source: Journal of Computational Chemistry. Unidade: IQSC

    Subjects: ESTRUTURA ELETRÔNICA, CÉSIO

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      GUSMÃO, Eriosvaldo Florentino e HAIDUKE, Roberto Luiz Andrade. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for cesium through radon. Journal of Computational Chemistry, v. 44, p. 2478–2485, 2023Tradução . . Disponível em: https://doi.org/10.1002/jcc.27212. Acesso em: 07 dez. 2023.
    • APA

      Gusmão, E. F., & Haiduke, R. L. A. (2023). Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for cesium through radon. Journal of Computational Chemistry, 44, 2478–2485. doi:10.1002/jcc.27212
    • NLM

      Gusmão EF, Haiduke RLA. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for cesium through radon [Internet]. Journal of Computational Chemistry. 2023 ;44 2478–2485.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1002/jcc.27212
    • Vancouver

      Gusmão EF, Haiduke RLA. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for cesium through radon [Internet]. Journal of Computational Chemistry. 2023 ;44 2478–2485.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1002/jcc.27212
  • Source: Chemical Physics. Unidade: IQSC

    Subjects: METAIS ALCALINOS, QUÍMICA TEÓRICA

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      ANGELOTTI, Wagner F.D. e HAIDUKE, Roberto Luiz Andrade e SILVA, Alberico Borges Ferreira da. Diffusion Monte Carlo investigation of electronic structure properties for 13-atom alkali metal clusters. Chemical Physics, v. 565, p. 111767, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.chemphys.2022.111767. Acesso em: 07 dez. 2023.
    • APA

      Angelotti, W. F. D., Haiduke, R. L. A., & Silva, A. B. F. da. (2023). Diffusion Monte Carlo investigation of electronic structure properties for 13-atom alkali metal clusters. Chemical Physics, 565, 111767. doi:10.1016/j.chemphys.2022.111767
    • NLM

      Angelotti WFD, Haiduke RLA, Silva ABF da. Diffusion Monte Carlo investigation of electronic structure properties for 13-atom alkali metal clusters [Internet]. Chemical Physics. 2023 ;565 111767.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1016/j.chemphys.2022.111767
    • Vancouver

      Angelotti WFD, Haiduke RLA, Silva ABF da. Diffusion Monte Carlo investigation of electronic structure properties for 13-atom alkali metal clusters [Internet]. Chemical Physics. 2023 ;565 111767.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1016/j.chemphys.2022.111767
  • Source: Journal of Cluster Science. Unidade: IQSC

    Assunto: QUÍMICA TEÓRICA

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      STEFFLER, Fernando e HAIDUKE, Roberto Luiz Andrade. Successive protonation of Decaniobate, [ Nb10O28]6−: electronic properties and spectra. Journal of Cluster Science, 2023Tradução . . Disponível em: https://doi.org/10.1007/s10876-023-02484-x. Acesso em: 07 dez. 2023.
    • APA

      Steffler, F., & Haiduke, R. L. A. (2023). Successive protonation of Decaniobate, [ Nb10O28]6−: electronic properties and spectra. Journal of Cluster Science. doi:10.1007/s10876-023-02484-x
    • NLM

      Steffler F, Haiduke RLA. Successive protonation of Decaniobate, [ Nb10O28]6−: electronic properties and spectra [Internet]. Journal of Cluster Science. 2023 ;[citado 2023 dez. 07 ] Available from: https://doi.org/10.1007/s10876-023-02484-x
    • Vancouver

      Steffler F, Haiduke RLA. Successive protonation of Decaniobate, [ Nb10O28]6−: electronic properties and spectra [Internet]. Journal of Cluster Science. 2023 ;[citado 2023 dez. 07 ] Available from: https://doi.org/10.1007/s10876-023-02484-x
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: FÍSICO-QUÍMICA, QUÍMICA INORGÂNICA

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      STEFFLER, Fernando e HAIDUKE, Roberto Luiz Andrade. Successive protonation of Lindqvist hexaniobate, [Nb6O19] 8: electronic properties and structural distortions. Physical Chemistry Chemical Physics, v. 24, p. 13083-13093, 2022Tradução . . Disponível em: https://doi.org/10.1039/d2cp00607c. Acesso em: 07 dez. 2023.
    • APA

      Steffler, F., & Haiduke, R. L. A. (2022). Successive protonation of Lindqvist hexaniobate, [Nb6O19] 8: electronic properties and structural distortions. Physical Chemistry Chemical Physics, 24, 13083-13093. doi:10.1039/d2cp00607c
    • NLM

      Steffler F, Haiduke RLA. Successive protonation of Lindqvist hexaniobate, [Nb6O19] 8: electronic properties and structural distortions [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24 13083-13093.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1039/d2cp00607c
    • Vancouver

      Steffler F, Haiduke RLA. Successive protonation of Lindqvist hexaniobate, [Nb6O19] 8: electronic properties and structural distortions [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24 13083-13093.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1039/d2cp00607c
  • Source: Journal of Molecular Modeling. Unidade: IQSC

    Subjects: ESTRUTURA ELETRÔNICA, QUÍMICA TEÓRICA, HIDROGÊNIO

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      VICHIETTI, Rafael M. et al. Accurate rate constants for elementary reactions of molecular hydrogen and carbon monoxide mixtures and the role of the H2 rich environment. Journal of Molecular Modeling, v. 28, p. 229, 2022Tradução . . Disponível em: https://doi.org/10.1007/s00894-022-05207-7. Acesso em: 07 dez. 2023.
    • APA

      Vichietti, R. M., Spada, R. F. K., Machado, F. B. C., & Haiduke, R. L. A. (2022). Accurate rate constants for elementary reactions of molecular hydrogen and carbon monoxide mixtures and the role of the H2 rich environment. Journal of Molecular Modeling, 28, 229. doi:10.1007/s00894-022-05207-7
    • NLM

      Vichietti RM, Spada RFK, Machado FBC, Haiduke RLA. Accurate rate constants for elementary reactions of molecular hydrogen and carbon monoxide mixtures and the role of the H2 rich environment [Internet]. Journal of Molecular Modeling. 2022 ;28 229.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1007/s00894-022-05207-7
    • Vancouver

      Vichietti RM, Spada RFK, Machado FBC, Haiduke RLA. Accurate rate constants for elementary reactions of molecular hydrogen and carbon monoxide mixtures and the role of the H2 rich environment [Internet]. Journal of Molecular Modeling. 2022 ;28 229.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1007/s00894-022-05207-7
  • Source: Journal of Computational Chemistry. Unidade: IQSC

    Subjects: QUÍMICA TEÓRICA, QUÍMICA QUÂNTICA, REAÇÕES QUÍMICAS

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      MACEDO, Gabriel Kossaka e HAIDUKE, Roberto Luiz Andrade. The performance of exchange—correlation functionals in describing electron density parameters of saddle point structures along chemical reactions. Journal of Computational Chemistry, p. 1-9, 2022Tradução . . Disponível em: https://doi.org/10.1002/jcc.26985. Acesso em: 07 dez. 2023.
    • APA

      Macedo, G. K., & Haiduke, R. L. A. (2022). The performance of exchange—correlation functionals in describing electron density parameters of saddle point structures along chemical reactions. Journal of Computational Chemistry, 1-9. doi:10.1002/jcc.26985
    • NLM

      Macedo GK, Haiduke RLA. The performance of exchange—correlation functionals in describing electron density parameters of saddle point structures along chemical reactions [Internet]. Journal of Computational Chemistry. 2022 ;1-9.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1002/jcc.26985
    • Vancouver

      Macedo GK, Haiduke RLA. The performance of exchange—correlation functionals in describing electron density parameters of saddle point structures along chemical reactions [Internet]. Journal of Computational Chemistry. 2022 ;1-9.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1002/jcc.26985
  • Source: European Journal of Inorganic Chemistry. Unidade: IQSC

    Subjects: ESTRUTURA ELETRÔNICA, CATALISADORES, MECANISMOS

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      CURICHIMBA, Jeyson Esquivel e HAIDUKE, Roberto Luiz Andrade. An Electronic Structure Study of the Conversion from 1,2-diphenylacetylene to (E)-1,2-diphenylethene Using a Bidentate Ru(II) - NC Catalyst. European Journal of Inorganic Chemistry, p. e202200525, 2022Tradução . . Disponível em: https://doi.org/10.1002/ejic.202200525. Acesso em: 07 dez. 2023.
    • APA

      Curichimba, J. E., & Haiduke, R. L. A. (2022). An Electronic Structure Study of the Conversion from 1,2-diphenylacetylene to (E)-1,2-diphenylethene Using a Bidentate Ru(II) - NC Catalyst. European Journal of Inorganic Chemistry, e202200525. doi:10.1002/ejic.202200525
    • NLM

      Curichimba JE, Haiduke RLA. An Electronic Structure Study of the Conversion from 1,2-diphenylacetylene to (E)-1,2-diphenylethene Using a Bidentate Ru(II) - NC Catalyst [Internet]. European Journal of Inorganic Chemistry. 2022 ;e202200525.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1002/ejic.202200525
    • Vancouver

      Curichimba JE, Haiduke RLA. An Electronic Structure Study of the Conversion from 1,2-diphenylacetylene to (E)-1,2-diphenylethene Using a Bidentate Ru(II) - NC Catalyst [Internet]. European Journal of Inorganic Chemistry. 2022 ;e202200525.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1002/ejic.202200525
  • Source: Current Organic Chemistry. Unidades: IQSC, IFSC

    Subjects: DIFRAÇÃO POR RAIOS X, FOTOQUÍMICA, QUÍMICA VERDE

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      JIMENEZ, David Esteban Quintero et al. Sustainable synthesis of benzylidenemalononitrile compounds under microwave irradiation. Current Organic Chemistry, v. 26, n. 16, p. 1552-1564 + supplementary material, 2022Tradução . . Disponível em: https://doi.org/10.2174/1385272827666221125091631. Acesso em: 07 dez. 2023.
    • APA

      Jimenez, D. E. Q., Zanin, L. L., Ferreira, I. M., Deflon, V. M., Diniz, L. F., Ellena, J., et al. (2022). Sustainable synthesis of benzylidenemalononitrile compounds under microwave irradiation. Current Organic Chemistry, 26( 16), 1552-1564 + supplementary material. doi:10.2174/1385272827666221125091631
    • NLM

      Jimenez DEQ, Zanin LL, Ferreira IM, Deflon VM, Diniz LF, Ellena J, Haiduke RLA, Porto ALM. Sustainable synthesis of benzylidenemalononitrile compounds under microwave irradiation [Internet]. Current Organic Chemistry. 2022 ; 26( 16): 1552-1564 + supplementary material.[citado 2023 dez. 07 ] Available from: https://doi.org/10.2174/1385272827666221125091631
    • Vancouver

      Jimenez DEQ, Zanin LL, Ferreira IM, Deflon VM, Diniz LF, Ellena J, Haiduke RLA, Porto ALM. Sustainable synthesis of benzylidenemalononitrile compounds under microwave irradiation [Internet]. Current Organic Chemistry. 2022 ; 26( 16): 1552-1564 + supplementary material.[citado 2023 dez. 07 ] Available from: https://doi.org/10.2174/1385272827666221125091631
  • Source: Journal of Molecular Structure. Unidade: IQSC

    Subjects: CINÉTICA QUÍMICA, GASES NOBRES

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      SANTIAGO, Regis Tadeu e HAIDUKE, Roberto Luiz Andrade. Chemical kinetic properties of HNgF→HF+Ng (Ng=Ar, Kr, Xe, and Rn) reactions:: an example of fortuitous cancelling of relevant relativistic effects. Journal of Molecular Structure, v. 1249, p. 131572, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.131572. Acesso em: 07 dez. 2023.
    • APA

      Santiago, R. T., & Haiduke, R. L. A. (2022). Chemical kinetic properties of HNgF→HF+Ng (Ng=Ar, Kr, Xe, and Rn) reactions:: an example of fortuitous cancelling of relevant relativistic effects. Journal of Molecular Structure, 1249, 131572. doi:10.1016/j.molstruc.2021.131572
    • NLM

      Santiago RT, Haiduke RLA. Chemical kinetic properties of HNgF→HF+Ng (Ng=Ar, Kr, Xe, and Rn) reactions:: an example of fortuitous cancelling of relevant relativistic effects [Internet]. Journal of Molecular Structure. 2022 ; 1249 131572.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131572
    • Vancouver

      Santiago RT, Haiduke RLA. Chemical kinetic properties of HNgF→HF+Ng (Ng=Ar, Kr, Xe, and Rn) reactions:: an example of fortuitous cancelling of relevant relativistic effects [Internet]. Journal of Molecular Structure. 2022 ; 1249 131572.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131572
  • Source: Journal of Computational Chemistry. Unidade: IQSC

    Subjects: ESTRUTURA ELETRÔNICA, HIDROGÊNIO, XENÔNIO

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      GUSMÃO, Eriosvaldo Florentino e HAIDUKE, Roberto Luiz Andrade. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon. Journal of Computational Chemistry, p. 1-10, 2022Tradução . . Disponível em: https://doi.org/10.1002/jcc.26990. Acesso em: 07 dez. 2023.
    • APA

      Gusmão, E. F., & Haiduke, R. L. A. (2022). Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon. Journal of Computational Chemistry, 1-10. doi:10.1002/jcc.26990
    • NLM

      Gusmão EF, Haiduke RLA. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon [Internet]. Journal of Computational Chemistry. 2022 ;1-10.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1002/jcc.26990
    • Vancouver

      Gusmão EF, Haiduke RLA. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon [Internet]. Journal of Computational Chemistry. 2022 ;1-10.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1002/jcc.26990
  • Source: Theoretical Chemistry Accounts: theory, computation and modeling. Unidade: IQSC

    Assunto: METAIS

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      MENDES, Rodrigo Araujo e HAIDUKE, Roberto Luiz Andrade. Performance of new exchange–correlation functionals in providing vertical excitation energies of metal complexes. Theoretical Chemistry Accounts: theory, computation and modeling, p. 140-146, 2021Tradução . . Disponível em: https://doi.org/10.1007/s00214-021-02844-8. Acesso em: 07 dez. 2023.
    • APA

      Mendes, R. A., & Haiduke, R. L. A. (2021). Performance of new exchange–correlation functionals in providing vertical excitation energies of metal complexes. Theoretical Chemistry Accounts: theory, computation and modeling, 140-146. doi:10.1007/s00214-021-02844-8
    • NLM

      Mendes RA, Haiduke RLA. Performance of new exchange–correlation functionals in providing vertical excitation energies of metal complexes [Internet]. Theoretical Chemistry Accounts: theory, computation and modeling. 2021 ;140-146.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1007/s00214-021-02844-8
    • Vancouver

      Mendes RA, Haiduke RLA. Performance of new exchange–correlation functionals in providing vertical excitation energies of metal complexes [Internet]. Theoretical Chemistry Accounts: theory, computation and modeling. 2021 ;140-146.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1007/s00214-021-02844-8
  • Source: The Journal of Chemical Physics. Unidade: IQSC

    Assunto: QUÍMICA QUÂNTICA

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      MENDES, Rodrigo Araujo e HAIDUKE, Roberto Luiz Andrade e BARTLETT, Rodney J. The Devil’s Triangle of Kohn–Sham density functional theory and excited states. The Journal of Chemical Physics, v. 154, p. 074106, 2021Tradução . . Disponível em: https://doi.org/10.1063/5.0035446. Acesso em: 07 dez. 2023.
    • APA

      Mendes, R. A., Haiduke, R. L. A., & Bartlett, R. J. (2021). The Devil’s Triangle of Kohn–Sham density functional theory and excited states. The Journal of Chemical Physics, 154, 074106. doi:10.1063/5.0035446
    • NLM

      Mendes RA, Haiduke RLA, Bartlett RJ. The Devil’s Triangle of Kohn–Sham density functional theory and excited states [Internet]. The Journal of Chemical Physics. 2021 ; 154 074106.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1063/5.0035446
    • Vancouver

      Mendes RA, Haiduke RLA, Bartlett RJ. The Devil’s Triangle of Kohn–Sham density functional theory and excited states [Internet]. The Journal of Chemical Physics. 2021 ; 154 074106.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1063/5.0035446
  • Source: Journal of Molecular Structure. Unidade: IQSC

    Assunto: QUÍMICA TEÓRICA

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      STEFFLER, Fernando e HAIDUKE, Roberto Luiz Andrade. Investigating the electronic excitations in Polyoxoniobates: (Nb6O19)8−, (Nb10O28)6− and (XNb12O40)Y with (X=As, P, Si, Ge) and (Y=15- and 16-). Journal of Molecular Structure, v. 1246, p. 131156, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.131156. Acesso em: 07 dez. 2023.
    • APA

      Steffler, F., & Haiduke, R. L. A. (2021). Investigating the electronic excitations in Polyoxoniobates: (Nb6O19)8−, (Nb10O28)6− and (XNb12O40)Y with (X=As, P, Si, Ge) and (Y=15- and 16-). Journal of Molecular Structure, 1246, 131156. doi:10.1016/j.molstruc.2021.131156
    • NLM

      Steffler F, Haiduke RLA. Investigating the electronic excitations in Polyoxoniobates: (Nb6O19)8−, (Nb10O28)6− and (XNb12O40)Y with (X=As, P, Si, Ge) and (Y=15- and 16-) [Internet]. Journal of Molecular Structure. 2021 ; 1246 131156.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131156
    • Vancouver

      Steffler F, Haiduke RLA. Investigating the electronic excitations in Polyoxoniobates: (Nb6O19)8−, (Nb10O28)6− and (XNb12O40)Y with (X=As, P, Si, Ge) and (Y=15- and 16-) [Internet]. Journal of Molecular Structure. 2021 ; 1246 131156.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131156
  • Source: The Journal of Chemical Physics. Unidade: IQSC

    Subjects: METANO, OURO

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      SANTIAGO, Regis Tadeu et al. The relativistic effects on the methane activation by gold(I) cations. The Journal of Chemical Physics, v. 154, p. 244113, 2021Tradução . . Disponível em: https://doi.org/10.1063/5.0053881. Acesso em: 07 dez. 2023.
    • APA

      Santiago, R. T., Vichietti, R. M., Machado, F. B. C., & Haiduke, R. L. A. (2021). The relativistic effects on the methane activation by gold(I) cations. The Journal of Chemical Physics, 154, 244113. doi:10.1063/5.0053881
    • NLM

      Santiago RT, Vichietti RM, Machado FBC, Haiduke RLA. The relativistic effects on the methane activation by gold(I) cations [Internet]. The Journal of Chemical Physics. 2021 ;154 244113.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1063/5.0053881
    • Vancouver

      Santiago RT, Vichietti RM, Machado FBC, Haiduke RLA. The relativistic effects on the methane activation by gold(I) cations [Internet]. The Journal of Chemical Physics. 2021 ;154 244113.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1063/5.0053881
  • Source: Journal of Physical Organic Chemistry. Unidade: IQSC

    Subjects: ENERGIA, CINÉTICA

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      SILVA, Natieli Alves da e BRUNS, Edward Roy. Topological electron density properties at critical points along aromatic rings as reactivity and regioselectivity descriptors in electrophilic substitutions. Journal of Physical Organic Chemistry, 2021Tradução . . Disponível em: https://doi.org/10.1002/poc.4252. Acesso em: 07 dez. 2023.
    • APA

      Silva, N. A. da, & Bruns, E. R. (2021). Topological electron density properties at critical points along aromatic rings as reactivity and regioselectivity descriptors in electrophilic substitutions. Journal of Physical Organic Chemistry. doi:10.1002/poc.4252
    • NLM

      Silva NA da, Bruns ER. Topological electron density properties at critical points along aromatic rings as reactivity and regioselectivity descriptors in electrophilic substitutions [Internet]. Journal of Physical Organic Chemistry. 2021 ;[citado 2023 dez. 07 ] Available from: https://doi.org/10.1002/poc.4252
    • Vancouver

      Silva NA da, Bruns ER. Topological electron density properties at critical points along aromatic rings as reactivity and regioselectivity descriptors in electrophilic substitutions [Internet]. Journal of Physical Organic Chemistry. 2021 ;[citado 2023 dez. 07 ] Available from: https://doi.org/10.1002/poc.4252
  • Source: ACS Omega. Unidade: IQSC

    Subjects: QUÍMICA QUÂNTICA, MOLÉCULA, ÁTOMOS

    PrivadoAcesso à fonteAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      MACEDO, Gabriel Kossaka e HAIDUKE, Roberto Luiz Andrade. A Quantum Theory Atoms in Molecules Study about the Inductive Effect of Substituents in Methane Derivatives. ACS Omega, v. 5, p. 9041−9045 April 9, 2020Tradução . . Disponível em: https://doi.org/10.1021/acsomega.0c01081. Acesso em: 07 dez. 2023.
    • APA

      Macedo, G. K., & Haiduke, R. L. A. (2020). A Quantum Theory Atoms in Molecules Study about the Inductive Effect of Substituents in Methane Derivatives. ACS Omega, 5, 9041−9045 April 9. doi:10.1021/acsomega.0c01081
    • NLM

      Macedo GK, Haiduke RLA. A Quantum Theory Atoms in Molecules Study about the Inductive Effect of Substituents in Methane Derivatives [Internet]. ACS Omega. 2020 ; 5 9041−9045 April 9.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1021/acsomega.0c01081
    • Vancouver

      Macedo GK, Haiduke RLA. A Quantum Theory Atoms in Molecules Study about the Inductive Effect of Substituents in Methane Derivatives [Internet]. ACS Omega. 2020 ; 5 9041−9045 April 9.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1021/acsomega.0c01081
  • Source: Journal of Physical Chemistry A. Unidade: IQSC

    Subjects: AMINOÁCIDOS, RESÍDUOS

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      NUÑEZ-REYES, Dianailys et al. Tunneling Enhancement of the Gas-Phase CH + CO2 Reaction at Low Temperature. Journal of Physical Chemistry A, v. 124, n. 51, p. 10717–10725, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.0c08070. Acesso em: 07 dez. 2023.
    • APA

      Nuñez-Reyes, D., Hickson, K. M., Loison, J. -C., Spada, R. F. K., Vichietti, R. M., Machado, F. B. C., & Haiduke, R. L. A. (2020). Tunneling Enhancement of the Gas-Phase CH + CO2 Reaction at Low Temperature. Journal of Physical Chemistry A, 124( 51), 10717–10725. doi:10.1021/acs.jpca.0c08070
    • NLM

      Nuñez-Reyes D, Hickson KM, Loison J-C, Spada RFK, Vichietti RM, Machado FBC, Haiduke RLA. Tunneling Enhancement of the Gas-Phase CH + CO2 Reaction at Low Temperature [Internet]. Journal of Physical Chemistry A. 2020 ; 124( 51): 10717–10725.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1021/acs.jpca.0c08070
    • Vancouver

      Nuñez-Reyes D, Hickson KM, Loison J-C, Spada RFK, Vichietti RM, Machado FBC, Haiduke RLA. Tunneling Enhancement of the Gas-Phase CH + CO2 Reaction at Low Temperature [Internet]. Journal of Physical Chemistry A. 2020 ; 124( 51): 10717–10725.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1021/acs.jpca.0c08070
  • Source: Theoretical Chemistry Accounts. Unidade: IQSC

    Subjects: QUÍMICA QUÂNTICA, ESPECTROSCOPIA

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      SANTIAGO, Regis Tadeu e HAIDUKE, Roberto Luiz Andrade. Determination of molecular properties for moscovium halides (McF and McCl). Theoretical Chemistry Accounts, v. 139, p. 1-4, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00214-020-2573-4. Acesso em: 07 dez. 2023.
    • APA

      Santiago, R. T., & Haiduke, R. L. A. (2020). Determination of molecular properties for moscovium halides (McF and McCl). Theoretical Chemistry Accounts, 139, 1-4. doi:10.1007/s00214-020-2573-4
    • NLM

      Santiago RT, Haiduke RLA. Determination of molecular properties for moscovium halides (McF and McCl) [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-4.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1007/s00214-020-2573-4
    • Vancouver

      Santiago RT, Haiduke RLA. Determination of molecular properties for moscovium halides (McF and McCl) [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-4.[citado 2023 dez. 07 ] Available from: https://doi.org/10.1007/s00214-020-2573-4
  • Source: Monthly Notices of the Royal Astronomical Society. Unidade: IQSC

    Assunto: ASTROQUÍMICA

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      SILVA, Silvia G S et al. Methanol and glycolaldehyde production from formaldehyde in massive star-forming regions. Monthly Notices of the Royal Astronomical Society, v. 497, n. 4, 2020Tradução . . Disponível em: https://doi.org/10.1093/mnras/staa2244. Acesso em: 07 dez. 2023.
    • APA

      Silva, S. G. S., Vichietti, R. M., Haiduke, R. L. A., Machado, F. B. C., & Spada, R. F. K. (2020). Methanol and glycolaldehyde production from formaldehyde in massive star-forming regions. Monthly Notices of the Royal Astronomical Society, 497( 4). doi:10.1093/mnras/staa2244
    • NLM

      Silva SGS, Vichietti RM, Haiduke RLA, Machado FBC, Spada RFK. Methanol and glycolaldehyde production from formaldehyde in massive star-forming regions [Internet]. Monthly Notices of the Royal Astronomical Society. 2020 ; 497( 4):[citado 2023 dez. 07 ] Available from: https://doi.org/10.1093/mnras/staa2244
    • Vancouver

      Silva SGS, Vichietti RM, Haiduke RLA, Machado FBC, Spada RFK. Methanol and glycolaldehyde production from formaldehyde in massive star-forming regions [Internet]. Monthly Notices of the Royal Astronomical Society. 2020 ; 497( 4):[citado 2023 dez. 07 ] Available from: https://doi.org/10.1093/mnras/staa2244

Digital Library of Intellectual Production of Universidade de São Paulo     2012 - 2023