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  • Source: Journal of Computational Chemistry. Unidade: IQSC

    Subjects: QUÍMICA TEÓRICA, QUÍMICA QUÂNTICA, REAÇÕES QUÍMICAS

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      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: 26 nov. 2022.
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      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 2022 nov. 26 ] 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 2022 nov. 26 ] Available from: https://doi.org/10.1002/jcc.26985
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: FÍSICO-QUÍMICA, QUÍMICA INORGÂNICA

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      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: 26 nov. 2022.
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      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 2022 nov. 26 ] 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 2022 nov. 26 ] Available from: https://doi.org/10.1039/d2cp00607c
  • Source: Journal of Molecular Modeling. Unidade: IQSC

    Subjects: ESTRUTURA ELETRÔNICA, QUÍMICA TEÓRICA, HIDROGÊNIO

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      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: 26 nov. 2022.
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      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 2022 nov. 26 ] 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 2022 nov. 26 ] Available from: https://doi.org/10.1007/s00894-022-05207-7
  • Source: European Journal of Inorganic Chemistry. Unidade: IQSC

    Subjects: ESTRUTURA ELETRÔNICA, CATALISADORES, MECANISMOS

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      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, 2022Tradução . . Disponível em: https://doi.org/10.1002/ejic.202200525. Acesso em: 26 nov. 2022.
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      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. 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 ;[citado 2022 nov. 26 ] 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 ;[citado 2022 nov. 26 ] Available from: https://doi.org/10.1002/ejic.202200525
  • Source: Chemical Physics. Unidade: IQSC

    Subjects: METAIS ALCALINOS, QUÍMICA TEÓRICA

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      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, 2022Tradução . . Disponível em: 10.1016/j.chemphys.2022.111767. Acesso em: 26 nov. 2022.
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      Angelotti, W. F. D., Haiduke, R. L. A., & Silva, A. B. F. da. (2022). 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. 2022 ;565 111767.[citado 2022 nov. 26 ] Available from: 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. 2022 ;565 111767.[citado 2022 nov. 26 ] Available from: 10.1016/j.chemphys.2022.111767
  • Source: Journal of Molecular Structure. Unidade: IQSC

    Subjects: CINÉTICA QUÍMICA, GASES NOBRES

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      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: 26 nov. 2022.
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      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 2022 nov. 26 ] 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 2022 nov. 26 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131572
  • Source: Journal of Computational Chemistry. Unidade: IQSC

    Subjects: ESTRUTURA ELETRÔNICA, HIDROGÊNIO, XENÔNIO

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      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: 26 nov. 2022.
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      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 2022 nov. 26 ] 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 2022 nov. 26 ] Available from: https://doi.org/10.1002/jcc.26990
  • Source: Theoretical Chemistry Accounts: theory, computation and modeling. Unidade: IQSC

    Subject: METAIS

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      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: 26 nov. 2022.
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      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 2022 nov. 26 ] 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 2022 nov. 26 ] Available from: https://doi.org/10.1007/s00214-021-02844-8
  • Source: The Journal of Chemical Physics. Unidade: IQSC

    Subject: QUÍMICA QUÂNTICA

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      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: 26 nov. 2022.
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      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 2022 nov. 26 ] 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 2022 nov. 26 ] Available from: https://doi.org/10.1063/5.0035446
  • Source: Journal of Molecular Structure. Unidade: IQSC

    Subject: QUÍMICA TEÓRICA

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      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: 26 nov. 2022.
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      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 2022 nov. 26 ] 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 2022 nov. 26 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131156
  • Source: Journal of Physical Organic Chemistry. Unidade: IQSC

    Subjects: ENERGIA, CINÉTICA

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      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: 26 nov. 2022.
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      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 2022 nov. 26 ] 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 2022 nov. 26 ] Available from: https://doi.org/10.1002/poc.4252
  • Source: The Journal of Chemical Physics. Unidade: IQSC

    Subjects: METANO, OURO

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      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: 26 nov. 2022.
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      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 2022 nov. 26 ] 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 2022 nov. 26 ] Available from: https://doi.org/10.1063/5.0053881
  • Source: ACS Omega. Unidade: IQSC

    Subjects: QUÍMICA QUÂNTICA, MOLÉCULA, ÁTOMOS

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      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://pubs.acs.org/doi/10.1021/acsomega.0c01081. Acesso em: 26 nov. 2022.
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      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
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      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 2022 nov. 26 ] Available from: https://pubs.acs.org/doi/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 2022 nov. 26 ] Available from: https://pubs.acs.org/doi/10.1021/acsomega.0c01081
  • Source: Journal of Physical Chemistry A. Unidade: IQSC

    Subjects: AMINOÁCIDOS, RESÍDUOS

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      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: 26 nov. 2022.
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      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 2022 nov. 26 ] 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 2022 nov. 26 ] Available from: https://doi.org/10.1021/acs.jpca.0c08070
  • Source: Theoretical Chemistry Accounts. Unidade: IQSC

    Subjects: QUÍMICA QUÂNTICA, ESPECTROSCOPIA

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      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: 26 nov. 2022.
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      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 2022 nov. 26 ] 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 2022 nov. 26 ] Available from: https://doi.org/10.1007/s00214-020-2573-4
  • Source: Monthly Notices of the Royal Astronomical Society. Unidade: IQSC

    Subject: ASTROQUÍMICA

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      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: 26 nov. 2022.
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      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 2022 nov. 26 ] 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 2022 nov. 26 ] Available from: https://doi.org/10.1093/mnras/staa2244
  • Source: ACS Omega. Unidade: IQSC

    Subjects: QUÍMICA QUÂNTICA, COMBUSTÃO

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      VICHIETTI, Rafael Mario e MACHADO, Francisco Bolivar Correto e HAIDUKE, Roberto Luiz Andrade. Accurate Rate Constants for the Forward and Reverse H + CO ↔ HCO Reactions at the High-Pressure Limit. ACS Omega, v. 5, p. 23975-23982, 2020Tradução . . Disponível em: https://dx.doi.org/10.1021/acsomega.0c03267. Acesso em: 26 nov. 2022.
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      Vichietti, R. M., Machado, F. B. C., & Haiduke, R. L. A. (2020). Accurate Rate Constants for the Forward and Reverse H + CO ↔ HCO Reactions at the High-Pressure Limit. ACS Omega, 5, 23975-23982. doi:10.1021/acsomega.0c03267
    • NLM

      Vichietti RM, Machado FBC, Haiduke RLA. Accurate Rate Constants for the Forward and Reverse H + CO ↔ HCO Reactions at the High-Pressure Limit [Internet]. ACS Omega. 2020 ; 5 23975-23982.[citado 2022 nov. 26 ] Available from: https://dx.doi.org/10.1021/acsomega.0c03267
    • Vancouver

      Vichietti RM, Machado FBC, Haiduke RLA. Accurate Rate Constants for the Forward and Reverse H + CO ↔ HCO Reactions at the High-Pressure Limit [Internet]. ACS Omega. 2020 ; 5 23975-23982.[citado 2022 nov. 26 ] Available from: https://dx.doi.org/10.1021/acsomega.0c03267
  • Source: Journal of Computational Chemistry. Unidade: IQSC

    Subject: LIGAÇÕES QUÍMICAS

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      SILVA, Natieli Alves da e HAIDUKE, Roberto Luiz Andrade. Infrared intensity analysis of hydroxyl stretching modes in carboxylic acid dimers by means of the charge–charge flux–dipole flux model. Journal of Computational Chemistry, v. 40, p. 2482-2490, 2019Tradução . . Disponível em: https://doi.org/10.1002/jcc.26024. Acesso em: 26 nov. 2022.
    • APA

      Silva, N. A. da, & Haiduke, R. L. A. (2019). Infrared intensity analysis of hydroxyl stretching modes in carboxylic acid dimers by means of the charge–charge flux–dipole flux model. Journal of Computational Chemistry, 40, 2482-2490. doi:10.1002/jcc.26024
    • NLM

      Silva NA da, Haiduke RLA. Infrared intensity analysis of hydroxyl stretching modes in carboxylic acid dimers by means of the charge–charge flux–dipole flux model [Internet]. Journal of Computational Chemistry. 2019 ;40 2482-2490.[citado 2022 nov. 26 ] Available from: https://doi.org/10.1002/jcc.26024
    • Vancouver

      Silva NA da, Haiduke RLA. Infrared intensity analysis of hydroxyl stretching modes in carboxylic acid dimers by means of the charge–charge flux–dipole flux model [Internet]. Journal of Computational Chemistry. 2019 ;40 2482-2490.[citado 2022 nov. 26 ] Available from: https://doi.org/10.1002/jcc.26024
  • Source: Livro de Resumo. Conference title: Simpósio Brasileiro de Química Teórica - SBQT. Unidade: IQSC

    Subjects: QUÍMICA TEÓRICA, CINÉTICA QUÍMICA

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      SANTIAGO, Regis Tadeu e VICHIETTI, Rafael Mario e HAIDUKE, Roberto Luiz Andrade. Relativistic effects on chemical kinetic parameters of the methane activation reaction by gold cations. 2019, Anais.. João Pessoa: Universidade Federal da Paraiba, 2019. Disponível em: https://repositorio.usp.br/directbitstream/d69cbb47-65b8-4f21-a25b-142d265a683c/P18504.pdf. Acesso em: 26 nov. 2022.
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      Santiago, R. T., Vichietti, R. M., & Haiduke, R. L. A. (2019). Relativistic effects on chemical kinetic parameters of the methane activation reaction by gold cations. In Livro de Resumo. João Pessoa: Universidade Federal da Paraiba. Recuperado de https://repositorio.usp.br/directbitstream/d69cbb47-65b8-4f21-a25b-142d265a683c/P18504.pdf
    • NLM

      Santiago RT, Vichietti RM, Haiduke RLA. Relativistic effects on chemical kinetic parameters of the methane activation reaction by gold cations [Internet]. Livro de Resumo. 2019 ;[citado 2022 nov. 26 ] Available from: https://repositorio.usp.br/directbitstream/d69cbb47-65b8-4f21-a25b-142d265a683c/P18504.pdf
    • Vancouver

      Santiago RT, Vichietti RM, Haiduke RLA. Relativistic effects on chemical kinetic parameters of the methane activation reaction by gold cations [Internet]. Livro de Resumo. 2019 ;[citado 2022 nov. 26 ] Available from: https://repositorio.usp.br/directbitstream/d69cbb47-65b8-4f21-a25b-142d265a683c/P18504.pdf
  • Source: Anais. Conference title: Congresso Brasileiro de Química. Unidade: IQSC

    Subject: CINÉTICA QUÍMICA

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    • ABNT

      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: 26 nov. 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 nov. 26 ] 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 nov. 26 ] Available from: https://repositorio.usp.br/directbitstream/a065ce9f-0425-4fcd-8958-fe63bc5d8b27/P18471.pdf

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