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Trabalho de evento-resumo
Accurate relativistic electronic structure calculations of homonuclear diatomic molecules: Hg2, Cn2, and Fl2 (2025)
Haiduke, Roberto Luiz Andrade
Fonte: Abstracts. Nome do evento: International Congress of Theoretical Chemists of Latin Expression Cartagena - Quitel. Unidade: IQSC
Assuntos: MOLÉCULA, ESTRUTURA ELETRÔNICA, QUÍMICA
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ABNT
HAIDUKE, Roberto Luiz Andrade. Accurate relativistic electronic structure calculations of homonuclear diatomic molecules: Hg2, Cn2, and Fl2. 2025, Anais.. Cartagena: Instituto de Química de São Carlos, Universidade de São Paulo, 2025. Disponível em: https://repositorio.usp.br/directbitstream/42ad9aa9-1a2b-4774-93d5-1373624f7f32/P22192.pdf. Acesso em: 04 nov. 2025.
APA
Haiduke, R. L. A. (2025). Accurate relativistic electronic structure calculations of homonuclear diatomic molecules: Hg2, Cn2, and Fl2. In Abstracts. Cartagena: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://repositorio.usp.br/directbitstream/42ad9aa9-1a2b-4774-93d5-1373624f7f32/P22192.pdf
NLM
Haiduke RLA. Accurate relativistic electronic structure calculations of homonuclear diatomic molecules: Hg2, Cn2, and Fl2 [Internet]. Abstracts. 2025 ;[citado 2025 nov. 04 ] Available from: https://repositorio.usp.br/directbitstream/42ad9aa9-1a2b-4774-93d5-1373624f7f32/P22192.pdf
Vancouver
Haiduke RLA. Accurate relativistic electronic structure calculations of homonuclear diatomic molecules: Hg2, Cn2, and Fl2 [Internet]. Abstracts. 2025 ;[citado 2025 nov. 04 ] Available from: https://repositorio.usp.br/directbitstream/42ad9aa9-1a2b-4774-93d5-1373624f7f32/P22192.pdf
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
Fonte: Journal of Molecular Modeling. Unidade: IQSC
Assuntos: 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: 04 nov. 2025.
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 2025 nov. 04 ] 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 2025 nov. 04 ] 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
Fonte: European Journal of Inorganic Chemistry. Unidade: IQSC
Assuntos: 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: 04 nov. 2025.
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 2025 nov. 04 ] 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 2025 nov. 04 ] Available from: https://doi.org/10.1002/ejic.202200525
Artigo de periodico
Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon (2022)
Gusmão, Eriosvaldo Florentino ; Haiduke, Roberto Luiz Andrade
Fonte: Journal of Computational Chemistry. Unidade: IQSC
Assuntos: ESTRUTURA ELETRÔNICA, HIDROGÊNIO, XENÔNIO
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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: 04 nov. 2025.
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 2025 nov. 04 ] 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 2025 nov. 04 ] Available from: https://doi.org/10.1002/jcc.26990
Artigo de periodico
A charge-charge flux-dipole flux decomposition of the dipole moment derivatives and infrared intensities of the AB(3) (A = N, P; B = H, F) molecules (2005)
César, Paulo H.; Faria, Sérgio H. D. M.; Silva Jr., João V. da; Haiduke, Roberto Luiz Andrade ; Bruns, Roy Edward
Fonte: Chemical Physics. Unidade: IQ
Assuntos: QUÍMICA ORGÂNICA, ESTRUTURA ELETRÔNICA
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ABNT
CÉSAR, Paulo H. et al. A charge-charge flux-dipole flux decomposition of the dipole moment derivatives and infrared intensities of the AB(3) (A = N, P; B = H, F) molecules. Chemical Physics, v. 317, n. 1, p. 35-42, 2005Tradução . . Disponível em: https://doi.org/10.1016/j.chemphys.2005.05.029. Acesso em: 04 nov. 2025.
APA
César, P. H., Faria, S. H. D. M., Silva Jr., J. V. da, Haiduke, R. L. A., & Bruns, R. E. (2005). A charge-charge flux-dipole flux decomposition of the dipole moment derivatives and infrared intensities of the AB(3) (A = N, P; B = H, F) molecules. Chemical Physics, 317( 1), 35-42. doi:10.1016/j.chemphys.2005.05.029
NLM
César PH, Faria SHDM, Silva Jr. JV da, Haiduke RLA, Bruns RE. A charge-charge flux-dipole flux decomposition of the dipole moment derivatives and infrared intensities of the AB(3) (A = N, P; B = H, F) molecules [Internet]. Chemical Physics. 2005 ; 317( 1): 35-42.[citado 2025 nov. 04 ] Available from: https://doi.org/10.1016/j.chemphys.2005.05.029
Vancouver
César PH, Faria SHDM, Silva Jr. JV da, Haiduke RLA, Bruns RE. A charge-charge flux-dipole flux decomposition of the dipole moment derivatives and infrared intensities of the AB(3) (A = N, P; B = H, F) molecules [Internet]. Chemical Physics. 2005 ; 317( 1): 35-42.[citado 2025 nov. 04 ] Available from: https://doi.org/10.1016/j.chemphys.2005.05.029
Trabalho de evento-resumo
Determination of atomic anisotropies from gasphase infrared intensities (2003)
Haiduke, Roberto Luiz Andrade ; Oliveira, Anselmo E. de; Bruns, Roy Edward
Fonte: Livro de Resumos. Nome do evento: Simpósio Brasileiro de Química Teórica. Unidade: IQ
Assuntos: ESTRUTURA ELETRÔNICA, QUÍMICA TEÓRICA, QUÍMICA ORGÂNICA
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ABNT
HAIDUKE, Roberto Luiz Andrade e OLIVEIRA, Anselmo E. de e BRUNS, Roy Edward. Determination of atomic anisotropies from gasphase infrared intensities. 2003, Anais.. Caxambu: Instituto de Química, Universidade de São Paulo, 2003. . Acesso em: 04 nov. 2025.
APA
Haiduke, R. L. A., Oliveira, A. E. de, & Bruns, R. E. (2003). Determination of atomic anisotropies from gasphase infrared intensities. In Livro de Resumos. Caxambu: Instituto de Química, Universidade de São Paulo.
NLM
Haiduke RLA, Oliveira AE de, Bruns RE. Determination of atomic anisotropies from gasphase infrared intensities. Livro de Resumos. 2003 ;[citado 2025 nov. 04 ]
Vancouver
Haiduke RLA, Oliveira AE de, Bruns RE. Determination of atomic anisotropies from gasphase infrared intensities. Livro de Resumos. 2003 ;[citado 2025 nov. 04 ]

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