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Filtros : "ESTRUTURA ELETRÔNICA" "Alemanha" Removido: "BIOFÍSICA" Limpar

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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: 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

    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

    Shedding light on the electronic structure of [Ru(η6-C16H16)(NH3)3]2+ complex: a computational insight (2019)

    Orenha, Renato Pereira; Caramori, Giovanni Finoto; Misturini, Alechania; Galembeck, Sérgio Emanuel

    Source: Journal of Molecular Modeling. Unidade: FFCLRP

    Subjects: LIGAÇÕES QUÍMICAS, ESTRUTURA ELETRÔNICA, COMPUTAÇÃO APLICADA

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    • ABNT

      ORENHA, Renato Pereira et al. Shedding light on the electronic structure of [Ru(η6-C16H16)(NH3)3]2+ complex: a computational insight. Journal of Molecular Modeling, v. 25, n. 1, 2019Tradução . . Disponível em: https://doi.org/10.1007/s00894-018-3882-6. Acesso em: 04 nov. 2025.

    • APA

      Orenha, R. P., Caramori, G. F., Misturini, A., & Galembeck, S. E. (2019). Shedding light on the electronic structure of [Ru(η6-C16H16)(NH3)3]2+ complex: a computational insight. Journal of Molecular Modeling, 25( 1). doi:10.1007/s00894-018-3882-6

    • NLM

      Orenha RP, Caramori GF, Misturini A, Galembeck SE. Shedding light on the electronic structure of [Ru(η6-C16H16)(NH3)3]2+ complex: a computational insight [Internet]. Journal of Molecular Modeling. 2019 ; 25( 1):[citado 2025 nov. 04 ] Available from: https://doi.org/10.1007/s00894-018-3882-6

    • Vancouver

      Orenha RP, Caramori GF, Misturini A, Galembeck SE. Shedding light on the electronic structure of [Ru(η6-C16H16)(NH3)3]2+ complex: a computational insight [Internet]. Journal of Molecular Modeling. 2019 ; 25( 1):[citado 2025 nov. 04 ] Available from: https://doi.org/10.1007/s00894-018-3882-6

  • Trabalho de evento-resumo

    Multiconfigurational ab initio and DFT study of metal-metal bonded diruthenium mixed valence complexes (2017)

    Moraes, Luís Henrique Ferreira de; Arantes, Guilherme Menegon ; Silva, Denise de Oliveira

    Source: Abstracts. Conference titles: Triennial Congress of the World Association of Theoretical and Computational Chemists/WATOC. Unidade: IQ

    Subjects: ESTRUTURA ELETRÔNICA, RUTÊNIO

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    • ABNT

      MORAES, Luís Henrique Ferreira de e ARANTES, Guilherme Menegon e SILVA, Denise de Oliveira. Multiconfigurational ab initio and DFT study of metal-metal bonded diruthenium mixed valence complexes. 2017, Anais.. Munich: Ludwig Maximilians Universität, 2017. . Acesso em: 04 nov. 2025.

    • APA

      Moraes, L. H. F. de, Arantes, G. M., & Silva, D. de O. (2017). Multiconfigurational ab initio and DFT study of metal-metal bonded diruthenium mixed valence complexes. In Abstracts. Munich: Ludwig Maximilians Universität.

    • NLM

      Moraes LHF de, Arantes GM, Silva D de O. Multiconfigurational ab initio and DFT study of metal-metal bonded diruthenium mixed valence complexes. Abstracts. 2017 ;[citado 2025 nov. 04 ]

    • Vancouver

      Moraes LHF de, Arantes GM, Silva D de O. Multiconfigurational ab initio and DFT study of metal-metal bonded diruthenium mixed valence complexes. Abstracts. 2017 ;[citado 2025 nov. 04 ]

  • Artigo de periodico

    Study of the oxygen vacancy influence on magnetic properties of Fe- and Co-doped SnO2 diluted alloys (2012)

    Borges, Pablo D; Scolfaro, Luisa Maria Ribeiro; Alves, Horacio W L; Silva, Eronides F da; Assali, Lucy Vitoria Credidio

    Source: Nanoscale Research Letters (NRL). Unidade: IF

    Subjects: ESTRUTURA ELETRÔNICA, SEMICONDUTORES, SEMICONDUTORES (PROPRIEDADES MAGNÉTICAS)

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    • ABNT

      BORGES, Pablo D et al. Study of the oxygen vacancy influence on magnetic properties of Fe- and Co-doped SnO2 diluted alloys. Nanoscale Research Letters (NRL), v. 7, n. 1, p. 540/1-540/6, 2012Tradução . . Disponível em: https://doi.org/10.1186/1556-276X-7-540. Acesso em: 04 nov. 2025.

    • APA

      Borges, P. D., Scolfaro, L. M. R., Alves, H. W. L., Silva, E. F. da, & Assali, L. V. C. (2012). Study of the oxygen vacancy influence on magnetic properties of Fe- and Co-doped SnO2 diluted alloys. Nanoscale Research Letters (NRL), 7( 1), 540/1-540/6. doi:10.1186/1556-276X-7-540

    • NLM

      Borges PD, Scolfaro LMR, Alves HWL, Silva EF da, Assali LVC. Study of the oxygen vacancy influence on magnetic properties of Fe- and Co-doped SnO2 diluted alloys [Internet]. Nanoscale Research Letters (NRL). 2012 ;7( 1): 540/1-540/6.[citado 2025 nov. 04 ] Available from: https://doi.org/10.1186/1556-276X-7-540

    • Vancouver

      Borges PD, Scolfaro LMR, Alves HWL, Silva EF da, Assali LVC. Study of the oxygen vacancy influence on magnetic properties of Fe- and Co-doped SnO2 diluted alloys [Internet]. Nanoscale Research Letters (NRL). 2012 ;7( 1): 540/1-540/6.[citado 2025 nov. 04 ] Available from: https://doi.org/10.1186/1556-276X-7-540

  • Artigo de periodico

    Carbon-based defects in GaN: doping behaviour (2002)

    Ramos, L E; Furthmuller, J; Leite, J. R.; Scolfaro, Luisa Maria Ribeiro; Bechstedt, F

    Source: Physica Status Solidi B-Basic Research. Unidade: IF

    Subjects: CRISTALOGRAFIA FÍSICA, ESTRUTURA ELETRÔNICA

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    • ABNT

      RAMOS, L E et al. Carbon-based defects in GaN: doping behaviour. Physica Status Solidi B-Basic Research, v. 234, n. 4, p. 864-867, 2002Tradução . . Acesso em: 04 nov. 2025.

    • APA

      Ramos, L. E., Furthmuller, J., Leite, J. R., Scolfaro, L. M. R., & Bechstedt, F. (2002). Carbon-based defects in GaN: doping behaviour. Physica Status Solidi B-Basic Research, 234( 4), 864-867.

    • NLM

      Ramos LE, Furthmuller J, Leite JR, Scolfaro LMR, Bechstedt F. Carbon-based defects in GaN: doping behaviour. Physica Status Solidi B-Basic Research. 2002 ; 234( 4): 864-867.[citado 2025 nov. 04 ]

    • Vancouver

      Ramos LE, Furthmuller J, Leite JR, Scolfaro LMR, Bechstedt F. Carbon-based defects in GaN: doping behaviour. Physica Status Solidi B-Basic Research. 2002 ; 234( 4): 864-867.[citado 2025 nov. 04 ]

  • Artigo de periodico

    Vibrational properties of cubic 'Al IND.X' 'Ga IND.1-X'N and 'In IND.X' 'Ga IND.1-X'N ternary alloys (2002)

    Santos, A M; Silva, Euzi Conceicao Fernandes da; Noriega, O C; Alves, H W L; Alves, J L A; Leite, J. R.

    Source: Physica Status Solidi B. Unidade: IF

    Subjects: ESTRUTURA ELETRÔNICA, SEMICONDUTORES

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    • ABNT

      SANTOS, A M et al. Vibrational properties of cubic 'Al IND.X' 'Ga IND.1-X'N and 'In IND.X' 'Ga IND.1-X'N ternary alloys. Physica Status Solidi B, v. 232, n. 1, p. 182-187, 2002Tradução . . Disponível em: http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=94517970&PLACEBO=IE.pdf. Acesso em: 04 nov. 2025.

    • APA

      Santos, A. M., Silva, E. C. F. da, Noriega, O. C., Alves, H. W. L., Alves, J. L. A., & Leite, J. R. (2002). Vibrational properties of cubic 'Al IND.X' 'Ga IND.1-X'N and 'In IND.X' 'Ga IND.1-X'N ternary alloys. Physica Status Solidi B, 232( 1), 182-187. Recuperado de http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=94517970&PLACEBO=IE.pdf

    • NLM

      Santos AM, Silva ECF da, Noriega OC, Alves HWL, Alves JLA, Leite JR. Vibrational properties of cubic 'Al IND.X' 'Ga IND.1-X'N and 'In IND.X' 'Ga IND.1-X'N ternary alloys [Internet]. Physica Status Solidi B. 2002 ; 232( 1): 182-187.[citado 2025 nov. 04 ] Available from: http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=94517970&PLACEBO=IE.pdf

    • Vancouver

      Santos AM, Silva ECF da, Noriega OC, Alves HWL, Alves JLA, Leite JR. Vibrational properties of cubic 'Al IND.X' 'Ga IND.1-X'N and 'In IND.X' 'Ga IND.1-X'N ternary alloys [Internet]. Physica Status Solidi B. 2002 ; 232( 1): 182-187.[citado 2025 nov. 04 ] Available from: http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=94517970&PLACEBO=IE.pdf
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