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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
Source: Abstracts. Conference titles: International Congress of Theoretical Chemists of Latin Expression Cartagena - Quitel. Unidade: IQSC
Subjects: 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
Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for cesium through radon (2023)
Gusmão, Eriosvaldo Florentino ; Haiduke, Roberto Luiz Andrade
Source: Journal of Computational Chemistry. Unidade: IQSC
Subjects: ESTRUTURA ELETRÔNICA, CÉSIO
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: 04 nov. 2025.
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 2025 nov. 04 ] 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 2025 nov. 04 ] Available from: https://doi.org/10.1002/jcc.27212
Artigo de periodico
An electronic structure investigation of excited state intramolecular proton transfer in amino-benzazole derivatives: Relative energies and electron density descriptors (2023)
Mendes, Rodrigo Araujo ; Mata, V.A.S. da; Haiduke, Roberto Luiz Andrade
Source: Journal of Photochemistry and Photobiology, A: Chemistry. Unidade: IQSC
Subjects: ESTRUTURA ELETRÔNICA, QUÍMICA TEÓRICA
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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: 04 nov. 2025.
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 2025 nov. 04 ] 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 2025 nov. 04 ] Available from: https://doi.org/10.1016/j.jphotochem.2023.114738
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: 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
Source: Journal of Computational Chemistry. Unidade: IQSC
Subjects: 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
Source: Chemical Physics. Unidade: IQ
Subjects: 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
Source: Livro de Resumos. Conference titles: Simpósio Brasileiro de Química Teórica. Unidade: IQ
Subjects: 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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