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Artigo de periodico
Accurate rate constants for elementary reactions of molecular hydrogen and carbon monoxide mixtures and the role of the H2 rich environment (2022)
Vichietti, Rafael M.; Spada, Rene F. K.; Machado, Francisco B. C.; Haiduke, Roberto Luiz Andrade
Source: Journal of Molecular Modeling. Unidade: IQSC
Subjects: ESTRUTURA ELETRÔNICA, QUÍMICA TEÓRICA, HIDROGÊNIO
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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: 28 out. 2024.
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 2024 out. 28 ] 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 2024 out. 28 ] Available from: https://doi.org/10.1007/s00894-022-05207-7
Artigo de periodico
An Electronic Structure Study of the Conversion from 1,2-diphenylacetylene to (E)-1,2-diphenylethene Using a Bidentate Ru(II) - NC Catalyst (2022)
Curichimba, Jeyson Esquivel; Haiduke, Roberto Luiz Andrade
Source: European Journal of Inorganic Chemistry. Unidade: IQSC
Subjects: ESTRUTURA ELETRÔNICA, CATALISADORES, MECANISMOS
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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: 28 out. 2024.
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 2024 out. 28 ] 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 2024 out. 28 ] Available from: https://doi.org/10.1002/ejic.202200525
Artigo de periodico
Performance of new exchange–correlation functionals in providing vertical excitation energies of metal complexes (2021)
Mendes, Rodrigo Araujo ; Haiduke, Roberto Luiz Andrade
Source: Theoretical Chemistry Accounts: theory, computation and modeling. Unidade: IQSC
Assunto: METAIS
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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: 28 out. 2024.
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 2024 out. 28 ] 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 2024 out. 28 ] Available from: https://doi.org/10.1007/s00214-021-02844-8
Artigo de periodico
Determination of molecular properties for moscovium halides (McF and McCl) (2020)
Santiago, Regis Tadeu ; Haiduke, Roberto Luiz Andrade
Source: Theoretical Chemistry Accounts. Unidade: IQSC
Subjects: QUÍMICA QUÂNTICA, ESPECTROSCOPIA
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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: 28 out. 2024.
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 2024 out. 28 ] 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 2024 out. 28 ] Available from: https://doi.org/10.1007/s00214-020-2573-4
Artigo de periodico
Accurate calculations of rate constants for the forward and reverse H2O + CO <-> HCOOH reactions (2017)
Vichietti, Rafael Mario; Spada, Rene Felipe Keidel; Silva, Alberico Borges Ferreira da ; Machado, Francisco Bolivar Correto; Haiduke, Roberto Luiz Andrade
Source: Chemistry Select. Unidade: IQSC
Subjects: QUÍMICA TEÓRICA, MECÂNICA QUÂNTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
VICHIETTI, Rafael Mario et al. Accurate calculations of rate constants for the forward and reverse H2O + CO <-> HCOOH reactions. Chemistry Select, v. 2, p. 7267-7272, 2017Tradução . . Disponível em: https://doi.org/10.1002/slct.201701137. Acesso em: 28 out. 2024.
APA
Vichietti, R. M., Spada, R. F. K., Silva, A. B. F. da, Machado, F. B. C., & Haiduke, R. L. A. (2017). Accurate calculations of rate constants for the forward and reverse H2O + CO <-> HCOOH reactions. Chemistry Select, 2, 7267-7272. doi:10.1002/slct.201701137
NLM
Vichietti RM, Spada RFK, Silva ABF da, Machado FBC, Haiduke RLA. Accurate calculations of rate constants for the forward and reverse H2O + CO <-> HCOOH reactions [Internet]. Chemistry Select. 2017 ; 2 7267-7272.[citado 2024 out. 28 ] Available from: https://doi.org/10.1002/slct.201701137
Vancouver
Vichietti RM, Spada RFK, Silva ABF da, Machado FBC, Haiduke RLA. Accurate calculations of rate constants for the forward and reverse H2O + CO <-> HCOOH reactions [Internet]. Chemistry Select. 2017 ; 2 7267-7272.[citado 2024 out. 28 ] Available from: https://doi.org/10.1002/slct.201701137
Artigo de periodico
Difluorodiazirine (CF2N2): a quantum mechanical study of the electron density and of the electrostatic potential in the ground and excited electronic states (2016)
Terrabuio, Luiz Alberto; Haiduke, Roberto Luiz Andrade ; Matta, Chérif F
Source: Theoretical Chemistry Accounts. Unidade: IQSC
Assunto: QUÍMICA TEÓRICA
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ABNT
TERRABUIO, Luiz Alberto e HAIDUKE, Roberto Luiz Andrade e MATTA, Chérif F. Difluorodiazirine (CF2N2): a quantum mechanical study of the electron density and of the electrostatic potential in the ground and excited electronic states. Theoretical Chemistry Accounts, v. 135, p. xx-xx, 2016Tradução . . Disponível em: https://doi.org/10.1007/s00214-015-1803-7. Acesso em: 28 out. 2024.
APA
Terrabuio, L. A., Haiduke, R. L. A., & Matta, C. F. (2016). Difluorodiazirine (CF2N2): a quantum mechanical study of the electron density and of the electrostatic potential in the ground and excited electronic states. Theoretical Chemistry Accounts, 135, xx-xx. doi:10.1007/s00214-015-1803-7
NLM
Terrabuio LA, Haiduke RLA, Matta CF. Difluorodiazirine (CF2N2): a quantum mechanical study of the electron density and of the electrostatic potential in the ground and excited electronic states [Internet]. Theoretical Chemistry Accounts. 2016 ; 135 xx-xx.[citado 2024 out. 28 ] Available from: https://doi.org/10.1007/s00214-015-1803-7
Vancouver
Terrabuio LA, Haiduke RLA, Matta CF. Difluorodiazirine (CF2N2): a quantum mechanical study of the electron density and of the electrostatic potential in the ground and excited electronic states [Internet]. Theoretical Chemistry Accounts. 2016 ; 135 xx-xx.[citado 2024 out. 28 ] Available from: https://doi.org/10.1007/s00214-015-1803-7
Artigo de periodico
Accurate Gaussian basis sets for atomic and molecular calculations obtained from the generator coordinate method with polynomial discretization (2015)
Celeste, Ricardo; Maringolo, Milena Palhares; Comar Júnior, Moacyr; Viana, Rommel Bezerra; Guimaraes, Amanda Ribeiro; Haiduke, Roberto Luiz Andrade ; Silva, Alberico Borges Ferreira da
Source: Journal of Molecular modeling. Unidade: IQSC
Assunto: MECÂNICA QUANTICA
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ABNT
CELESTE, Ricardo et al. Accurate Gaussian basis sets for atomic and molecular calculations obtained from the generator coordinate method with polynomial discretization. Journal of Molecular modeling, v. 21, p. 1-7, 2015Tradução . . Disponível em: https://doi.org/10.1007/s00894-015-2813-z. Acesso em: 28 out. 2024.
APA
Celeste, R., Maringolo, M. P., Comar Júnior, M., Viana, R. B., Guimaraes, A. R., Haiduke, R. L. A., & Silva, A. B. F. da. (2015). Accurate Gaussian basis sets for atomic and molecular calculations obtained from the generator coordinate method with polynomial discretization. Journal of Molecular modeling, 21, 1-7. doi:10.1007/s00894-015-2813-z
NLM
Celeste R, Maringolo MP, Comar Júnior M, Viana RB, Guimaraes AR, Haiduke RLA, Silva ABF da. Accurate Gaussian basis sets for atomic and molecular calculations obtained from the generator coordinate method with polynomial discretization [Internet]. Journal of Molecular modeling. 2015 ;21 1-7.[citado 2024 out. 28 ] Available from: https://doi.org/10.1007/s00894-015-2813-z
Vancouver
Celeste R, Maringolo MP, Comar Júnior M, Viana RB, Guimaraes AR, Haiduke RLA, Silva ABF da. Accurate Gaussian basis sets for atomic and molecular calculations obtained from the generator coordinate method with polynomial discretization [Internet]. Journal of Molecular modeling. 2015 ;21 1-7.[citado 2024 out. 28 ] Available from: https://doi.org/10.1007/s00894-015-2813-z

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