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Filtros : "Lischka, Hans" Limpar

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1 - 9 (9 records)

  • Artigo de periodico

    Ab initio investigation of substituent effects on the excited electronic states of flavylium cation analogues of anthocyanin pigments (2022)

    Sun, Liuqing ; Silva, Gustavo Thalmer de Medeiros ; Quina, Frank Herbert ; Lischka, Hans ; Aquino, Adelia J. A

    Source: Computational and Theoretical Chemistry. Unidade: IQ

    Subjects: PIGMENTOS, PLANTAS

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    • ABNT

      SUN, Liuqing et al. Ab initio investigation of substituent effects on the excited electronic states of flavylium cation analogues of anthocyanin pigments. Computational and Theoretical Chemistry, v. 1216, p. 1-7 art. 113851, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.comptc.2022.113851. Acesso em: 16 maio 2024.

    • APA

      Sun, L., Silva, G. T. de M., Quina, F. H., Lischka, H., & Aquino, A. J. A. (2022). Ab initio investigation of substituent effects on the excited electronic states of flavylium cation analogues of anthocyanin pigments. Computational and Theoretical Chemistry, 1216, 1-7 art. 113851. doi:10.1016/j.comptc.2022.113851

    • NLM

      Sun L, Silva GT de M, Quina FH, Lischka H, Aquino AJA. Ab initio investigation of substituent effects on the excited electronic states of flavylium cation analogues of anthocyanin pigments [Internet]. Computational and Theoretical Chemistry. 2022 ; 1216 1-7 art. 113851.[citado 2024 maio 16 ] Available from: https://doi.org/10.1016/j.comptc.2022.113851

    • Vancouver

      Sun L, Silva GT de M, Quina FH, Lischka H, Aquino AJA. Ab initio investigation of substituent effects on the excited electronic states of flavylium cation analogues of anthocyanin pigments [Internet]. Computational and Theoretical Chemistry. 2022 ; 1216 1-7 art. 113851.[citado 2024 maio 16 ] Available from: https://doi.org/10.1016/j.comptc.2022.113851

  • Artigo de periodico

    Ab initio calculation of the excited states of nitropyrenes (2021)

    Chen, Qian; Siddique, Farhan; Silva, Gustavo Thalmer de Medeiros ; Lischka, Hans; Quina, Frank Herbert ; Aquino, Adelia J. A

    Source: Theoretical Chemistry Accounts. Unidade: IQ

    Subjects: HIDROCARBONETOS POLICÍCLICOS, FOTOQUÍMICA, MEIO AMBIENTE

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      CHEN, Qian et al. Ab initio calculation of the excited states of nitropyrenes. Theoretical Chemistry Accounts, v. 140, p. 1-8 art. 97, 2021Tradução . . Disponível em: https://doi.org/10.1007/s00214-021-02791-4. Acesso em: 16 maio 2024.

    • APA

      Chen, Q., Siddique, F., Silva, G. T. de M., Lischka, H., Quina, F. H., & Aquino, A. J. A. (2021). Ab initio calculation of the excited states of nitropyrenes. Theoretical Chemistry Accounts, 140, 1-8 art. 97. doi:10.1007/s00214-021-02791-4

    • NLM

      Chen Q, Siddique F, Silva GT de M, Lischka H, Quina FH, Aquino AJA. Ab initio calculation of the excited states of nitropyrenes [Internet]. Theoretical Chemistry Accounts. 2021 ; 140 1-8 art. 97.[citado 2024 maio 16 ] Available from: https://doi.org/10.1007/s00214-021-02791-4

    • Vancouver

      Chen Q, Siddique F, Silva GT de M, Lischka H, Quina FH, Aquino AJA. Ab initio calculation of the excited states of nitropyrenes [Internet]. Theoretical Chemistry Accounts. 2021 ; 140 1-8 art. 97.[citado 2024 maio 16 ] Available from: https://doi.org/10.1007/s00214-021-02791-4

  • Artigo de periodico

    A computational study of the ground and excited state acidities of synthetic analogs of red wine pyranoanthocyanins (2020)

    Wang, Jing; Siddique, Farhan; Freitas, Adilson A; Silva, Cassio Pacheco da; Silva, Gustavo Thalmer de Medeiros; Quina, Frank Herbert ; Lischka, Hans; Aquino, Adélia J A

    Source: Theoretical Chemistry Accounts. Unidade: IQ

    Subjects: VINHO, ACIDEZ DO SOLO

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      WANG, Jing et al. A computational study of the ground and excited state acidities of synthetic analogs of red wine pyranoanthocyanins. Theoretical Chemistry Accounts, v. 139, p. 1-11 art. 117, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00214-020-02633-9. Acesso em: 16 maio 2024.

    • APA

      Wang, J., Siddique, F., Freitas, A. A., Silva, C. P. da, Silva, G. T. de M., Quina, F. H., et al. (2020). A computational study of the ground and excited state acidities of synthetic analogs of red wine pyranoanthocyanins. Theoretical Chemistry Accounts, 139, 1-11 art. 117. doi:10.1007/s00214-020-02633-9

    • NLM

      Wang J, Siddique F, Freitas AA, Silva CP da, Silva GT de M, Quina FH, Lischka H, Aquino AJA. A computational study of the ground and excited state acidities of synthetic analogs of red wine pyranoanthocyanins [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-11 art. 117.[citado 2024 maio 16 ] Available from: https://doi.org/10.1007/s00214-020-02633-9

    • Vancouver

      Wang J, Siddique F, Freitas AA, Silva CP da, Silva GT de M, Quina FH, Lischka H, Aquino AJA. A computational study of the ground and excited state acidities of synthetic analogs of red wine pyranoanthocyanins [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-11 art. 117.[citado 2024 maio 16 ] Available from: https://doi.org/10.1007/s00214-020-02633-9

  • Artigo de periodico

    Conical intersections and the weak fluorescence of betalains (2019)

    He, Juanjuan; Siddique, Farhan; Lischka, Hans; Quina, Frank Herbert ; Aquino, Adélia J A

    Source: Photochemical and Photobiological Sciences. Unidade: IQ

    Subjects: FLUORESCÊNCIA, FOTOQUÍMICA

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      HE, Juanjuan et al. Conical intersections and the weak fluorescence of betalains. Photochemical and Photobiological Sciences, v. 18, n. 8, p. 1972-1981, 2019Tradução . . Disponível em: https://doi.org/10.1039/c9pp00131j. Acesso em: 16 maio 2024.

    • APA

      He, J., Siddique, F., Lischka, H., Quina, F. H., & Aquino, A. J. A. (2019). Conical intersections and the weak fluorescence of betalains. Photochemical and Photobiological Sciences, 18( 8), 1972-1981. doi:10.1039/c9pp00131j

    • NLM

      He J, Siddique F, Lischka H, Quina FH, Aquino AJA. Conical intersections and the weak fluorescence of betalains [Internet]. Photochemical and Photobiological Sciences. 2019 ; 18( 8): 1972-1981.[citado 2024 maio 16 ] Available from: https://doi.org/10.1039/c9pp00131j

    • Vancouver

      He J, Siddique F, Lischka H, Quina FH, Aquino AJA. Conical intersections and the weak fluorescence of betalains [Internet]. Photochemical and Photobiological Sciences. 2019 ; 18( 8): 1972-1981.[citado 2024 maio 16 ] Available from: https://doi.org/10.1039/c9pp00131j

  • Artigo de periodico

    The electronic transitions of analogs of red wine pyranoanthocyanin pigments (2019)

    Siddique, Farhan; Silva, Cássio P. da; Silva, Gustavo Thalmer de Medeiros; Lischka, Hans; Quina, Frank Herbert ; Aquino, Adélia J A

    Source: Photochemical and Photobiological Sciences. Unidade: IQ

    Subjects: VINHO, CORANTES

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    • ABNT

      SIDDIQUE, Farhan et al. The electronic transitions of analogs of red wine pyranoanthocyanin pigments. Photochemical and Photobiological Sciences, v. 18, n. 1, p. 45-53, 2019Tradução . . Disponível em: https://doi.org/10.1039/c8pp00391b. Acesso em: 16 maio 2024.

    • APA

      Siddique, F., Silva, C. P. da, Silva, G. T. de M., Lischka, H., Quina, F. H., & Aquino, A. J. A. (2019). The electronic transitions of analogs of red wine pyranoanthocyanin pigments. Photochemical and Photobiological Sciences, 18( 1), 45-53. doi:10.1039/c8pp00391b

    • NLM

      Siddique F, Silva CP da, Silva GT de M, Lischka H, Quina FH, Aquino AJA. The electronic transitions of analogs of red wine pyranoanthocyanin pigments [Internet]. Photochemical and Photobiological Sciences. 2019 ; 18( 1): 45-53.[citado 2024 maio 16 ] Available from: https://doi.org/10.1039/c8pp00391b

    • Vancouver

      Siddique F, Silva CP da, Silva GT de M, Lischka H, Quina FH, Aquino AJA. The electronic transitions of analogs of red wine pyranoanthocyanin pigments [Internet]. Photochemical and Photobiological Sciences. 2019 ; 18( 1): 45-53.[citado 2024 maio 16 ] Available from: https://doi.org/10.1039/c8pp00391b

  • Artigo de periodico

    Quantum chemical evidence for the origin of the red/blue colors of Hydrangea macrophylla sepals (2019)

    Li, Xue; Siddique, Farhan; Silva, Gustavo T. M; Quina, Frank Herbert ; Lischka, Hans; Aquino, Adélia J A

    Source: New Journal Chemistry. Unidade: IQ

    Subjects: QUÍMICA QUÂNTICA, COR, HORTÊNSIA

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      LI, Xue et al. Quantum chemical evidence for the origin of the red/blue colors of Hydrangea macrophylla sepals. New Journal Chemistry, v. 43, p. 7532-7540, 2019Tradução . . Disponível em: https://doi.org/10.1039/c9nj00237e. Acesso em: 16 maio 2024.

    • APA

      Li, X., Siddique, F., Silva, G. T. M., Quina, F. H., Lischka, H., & Aquino, A. J. A. (2019). Quantum chemical evidence for the origin of the red/blue colors of Hydrangea macrophylla sepals. New Journal Chemistry, 43, 7532-7540. doi:10.1039/c9nj00237e

    • NLM

      Li X, Siddique F, Silva GTM, Quina FH, Lischka H, Aquino AJA. Quantum chemical evidence for the origin of the red/blue colors of Hydrangea macrophylla sepals [Internet]. New Journal Chemistry. 2019 ; 43 7532-7540.[citado 2024 maio 16 ] Available from: https://doi.org/10.1039/c9nj00237e

    • Vancouver

      Li X, Siddique F, Silva GTM, Quina FH, Lischka H, Aquino AJA. Quantum chemical evidence for the origin of the red/blue colors of Hydrangea macrophylla sepals [Internet]. New Journal Chemistry. 2019 ; 43 7532-7540.[citado 2024 maio 16 ] Available from: https://doi.org/10.1039/c9nj00237e

  • Artigo de periodico

    Thermodynamic Stability of Hydrogen-Bonded Systems in Polar and Nonpolar Environments (2010)

    Pasalic, Hasan; Aquino, Adélia J A; Tunega, Daniel; Haberhauer, Georg; Gerzabek, Martin H; Georg, Herbert C; Moraes, Tatiane F; Coutinho, Kaline Rabelo; Canuto, Sylvio; Lischka, Hans

    Source: Journal of Computational Chemistry. Unidade: IF

    Assunto: TERMODINÂMICA

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    • ABNT

      PASALIC, Hasan et al. Thermodynamic Stability of Hydrogen-Bonded Systems in Polar and Nonpolar Environments. Journal of Computational Chemistry, v. 31, n. 10, 2010Tradução . . Disponível em: http://link.periodicos.capes.gov.br/sfxlcl3?url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&ctx_enc=info:ofi/enc:UTF-8&ctx_ver=Z39.88-2004&rfr_id=info:sid/sfxit.com:azlist&sfx.ignore_date_threshold=1&rft.object_id=954925489848&svc.fulltext=yes. Acesso em: 16 maio 2024.

    • APA

      Pasalic, H., Aquino, A. J. A., Tunega, D., Haberhauer, G., Gerzabek, M. H., Georg, H. C., et al. (2010). Thermodynamic Stability of Hydrogen-Bonded Systems in Polar and Nonpolar Environments. Journal of Computational Chemistry, 31( 10). Recuperado de http://link.periodicos.capes.gov.br/sfxlcl3?url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&ctx_enc=info:ofi/enc:UTF-8&ctx_ver=Z39.88-2004&rfr_id=info:sid/sfxit.com:azlist&sfx.ignore_date_threshold=1&rft.object_id=954925489848&svc.fulltext=yes

    • NLM

      Pasalic H, Aquino AJA, Tunega D, Haberhauer G, Gerzabek MH, Georg HC, Moraes TF, Coutinho KR, Canuto S, Lischka H. Thermodynamic Stability of Hydrogen-Bonded Systems in Polar and Nonpolar Environments [Internet]. Journal of Computational Chemistry. 2010 ;31( 10):[citado 2024 maio 16 ] Available from: http://link.periodicos.capes.gov.br/sfxlcl3?url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&ctx_enc=info:ofi/enc:UTF-8&ctx_ver=Z39.88-2004&rfr_id=info:sid/sfxit.com:azlist&sfx.ignore_date_threshold=1&rft.object_id=954925489848&svc.fulltext=yes

    • Vancouver

      Pasalic H, Aquino AJA, Tunega D, Haberhauer G, Gerzabek MH, Georg HC, Moraes TF, Coutinho KR, Canuto S, Lischka H. Thermodynamic Stability of Hydrogen-Bonded Systems in Polar and Nonpolar Environments [Internet]. Journal of Computational Chemistry. 2010 ;31( 10):[citado 2024 maio 16 ] Available from: http://link.periodicos.capes.gov.br/sfxlcl3?url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&ctx_enc=info:ofi/enc:UTF-8&ctx_ver=Z39.88-2004&rfr_id=info:sid/sfxit.com:azlist&sfx.ignore_date_threshold=1&rft.object_id=954925489848&svc.fulltext=yes

  • Artigo de periodico

    Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments (2010)

    Pasalic, Hasan; Aquino, Adélia J A; Tunega, Daniel; Haberhauer, Georg; Gerzabek, Martin H; Georg, Herbert C; Moraes, Tatiane F; Coutinho, Kaline Rabelo; Canuto, Sylvio; Lischka, Hans

    Source: Journal of Computational Chemistry. Unidade: IF

    Subjects: TERMODINÂMICA (FÍSICO-QUÍMICA), MÉTODO DE MONTE CARLO

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    • ABNT

      PASALIC, Hasan et al. Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments. Journal of Computational Chemistry, v. 31, n. 10, p. 2046-2055, 2010Tradução . . Disponível em: https://doi.org/10.1002/jcc.21491. Acesso em: 16 maio 2024.

    • APA

      Pasalic, H., Aquino, A. J. A., Tunega, D., Haberhauer, G., Gerzabek, M. H., Georg, H. C., et al. (2010). Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments. Journal of Computational Chemistry, 31( 10), 2046-2055. doi:10.1002/jcc.21491

    • NLM

      Pasalic H, Aquino AJA, Tunega D, Haberhauer G, Gerzabek MH, Georg HC, Moraes TF, Coutinho KR, Canuto S, Lischka H. Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments [Internet]. Journal of Computational Chemistry. 2010 ; 31( 10): 2046-2055.[citado 2024 maio 16 ] Available from: https://doi.org/10.1002/jcc.21491

    • Vancouver

      Pasalic H, Aquino AJA, Tunega D, Haberhauer G, Gerzabek MH, Georg HC, Moraes TF, Coutinho KR, Canuto S, Lischka H. Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments [Internet]. Journal of Computational Chemistry. 2010 ; 31( 10): 2046-2055.[citado 2024 maio 16 ] Available from: https://doi.org/10.1002/jcc.21491

  • Artigo de periodico

    Solvatochromic and ionochromic effects of iron(II)bis-(1-10-phenanthroline)dicyano: a theoretical study (2010)

    Georgieva, Ivelina; Aquino, Adélia Justina Aguiar; Trendafilova, Natasha; Santos, Paulo Sérgio ; Lischka, Hans

    Source: Inorganic Chemistry. Unidade: IQ

    Subjects: SOLVATAÇÃO, FERRO

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    • ABNT

      GEORGIEVA, Ivelina et al. Solvatochromic and ionochromic effects of iron(II)bis-(1-10-phenanthroline)dicyano: a theoretical study. Inorganic Chemistry, v. 49, n. 4, p. 1634-1646, 2010Tradução . . Disponível em: http://pubs.acs.org/doi/pdfplus/10.1021/ic9020299. Acesso em: 16 maio 2024.

    • APA

      Georgieva, I., Aquino, A. J. A., Trendafilova, N., Santos, P. S., & Lischka, H. (2010). Solvatochromic and ionochromic effects of iron(II)bis-(1-10-phenanthroline)dicyano: a theoretical study. Inorganic Chemistry, 49( 4), 1634-1646. Recuperado de http://pubs.acs.org/doi/pdfplus/10.1021/ic9020299

    • NLM

      Georgieva I, Aquino AJA, Trendafilova N, Santos PS, Lischka H. Solvatochromic and ionochromic effects of iron(II)bis-(1-10-phenanthroline)dicyano: a theoretical study [Internet]. Inorganic Chemistry. 2010 ; 49( 4): 1634-1646.[citado 2024 maio 16 ] Available from: http://pubs.acs.org/doi/pdfplus/10.1021/ic9020299

    • Vancouver

      Georgieva I, Aquino AJA, Trendafilova N, Santos PS, Lischka H. Solvatochromic and ionochromic effects of iron(II)bis-(1-10-phenanthroline)dicyano: a theoretical study [Internet]. Inorganic Chemistry. 2010 ; 49( 4): 1634-1646.[citado 2024 maio 16 ] Available from: http://pubs.acs.org/doi/pdfplus/10.1021/ic9020299
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