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Filtros : "FÍSICO-QUÍMICA" "Canuto, Sylvio" Removidos: " IFSC032" "FMRP-RPA" "FARIA, ROBERTO MENDONCA" "1993" Limpar

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  • Artigo de periodico

    Theoretical study of the absorption and emission spectra of 1,2-Bis(9-anthryl)acetylene in cyclohexane and acetonitrile (2023)

    Vieira, Vinícius Manzoni ; Orozco-Gonzalez, Yoelvis ; Peon, Jorge; Canuto, Sylvio

    Source: Chemical Physics Letters. Unidade: IF

    Subjects: FÍSICO-QUÍMICA, MECÂNICA QUÂNTICA, FÍSICA MOLECULAR

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      VIEIRA, Vinícius Manzoni et al. Theoretical study of the absorption and emission spectra of 1,2-Bis(9-anthryl)acetylene in cyclohexane and acetonitrile. Chemical Physics Letters, v. 830, p. 06 ; agosto de 2023, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.cplett.2023.140775. Acesso em: 20 nov. 2024.

    • APA

      Vieira, V. M., Orozco-Gonzalez, Y., Peon, J., & Canuto, S. (2023). Theoretical study of the absorption and emission spectra of 1,2-Bis(9-anthryl)acetylene in cyclohexane and acetonitrile. Chemical Physics Letters, 830, 06 ; agosto de 2023. doi:10.1016/j.cplett.2023.140775

    • NLM

      Vieira VM, Orozco-Gonzalez Y, Peon J, Canuto S. Theoretical study of the absorption and emission spectra of 1,2-Bis(9-anthryl)acetylene in cyclohexane and acetonitrile [Internet]. Chemical Physics Letters. 2023 ; 830 06 ; agosto de 2023.[citado 2024 nov. 20 ] Available from: https://doi.org/10.1016/j.cplett.2023.140775

    • Vancouver

      Vieira VM, Orozco-Gonzalez Y, Peon J, Canuto S. Theoretical study of the absorption and emission spectra of 1,2-Bis(9-anthryl)acetylene in cyclohexane and acetonitrile [Internet]. Chemical Physics Letters. 2023 ; 830 06 ; agosto de 2023.[citado 2024 nov. 20 ] Available from: https://doi.org/10.1016/j.cplett.2023.140775

  • Artigo de periodico

    The Solute Polarization and Structural Effects on the Nonlinear Optical Response of Based Chromone Molecules (2023)

    Fonseca, Sávio ; Santos, Neidy Samara Sousa dos ; Cunha, Antonio Rodrigues da ; Canuto, Sylvio ; Provasi, Patricio F. ; Andrade-Filho, Tarciso ; Gester, Rodrigo

    Source: ChemPhysChem. Unidade: IF

    Subjects: FÍSICO-QUÍMICA, MECÂNICA QUÂNTICA, ÓPTICA NÃO LINEAR, FÍSICA MOLECULAR, SOLVENTE

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      FONSECA, Sávio et al. The Solute Polarization and Structural Effects on the Nonlinear Optical Response of Based Chromone Molecules. ChemPhysChem, v. 24, n. 12, 2023Tradução . . Disponível em: https://doi.org/10.1002/cphc.202300060. Acesso em: 20 nov. 2024.

    • APA

      Fonseca, S., Santos, N. S. S. dos, Cunha, A. R. da, Canuto, S., Provasi, P. F., Andrade-Filho, T., & Gester, R. (2023). The Solute Polarization and Structural Effects on the Nonlinear Optical Response of Based Chromone Molecules. ChemPhysChem, 24( 12). doi:10.1002/cphc.202300060

    • NLM

      Fonseca S, Santos NSS dos, Cunha AR da, Canuto S, Provasi PF, Andrade-Filho T, Gester R. The Solute Polarization and Structural Effects on the Nonlinear Optical Response of Based Chromone Molecules [Internet]. ChemPhysChem. 2023 ; 24( 12):[citado 2024 nov. 20 ] Available from: https://doi.org/10.1002/cphc.202300060

    • Vancouver

      Fonseca S, Santos NSS dos, Cunha AR da, Canuto S, Provasi PF, Andrade-Filho T, Gester R. The Solute Polarization and Structural Effects on the Nonlinear Optical Response of Based Chromone Molecules [Internet]. ChemPhysChem. 2023 ; 24( 12):[citado 2024 nov. 20 ] Available from: https://doi.org/10.1002/cphc.202300060

  • Artigo de periodico

    Calculation of the one- and two-photon absorption spectra of water-soluble stilbene derivatives using a multiscale QM/MM approach (2023)

    Ramos, Tárcius N. ; Franco, Leandro ; Silva, Daniel ; Canuto, Sylvio

    Source: Chinese Journal of Chemical Physics (CJCP). Unidade: IF

    Subjects: MECÂNICA QUÂNTICA, FÍSICO-QUÍMICA, ÓPTICA NÃO LINEAR, MATERIAIS, SOLVENTE, ESPECTROSCOPIA

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      RAMOS, Tárcius N. et al. Calculation of the one- and two-photon absorption spectra of water-soluble stilbene derivatives using a multiscale QM/MM approach. Chinese Journal of Chemical Physics (CJCP), v. 159, n. 2, 2023Tradução . . Disponível em: https://doi.org/10.1063/5.0152308. Acesso em: 20 nov. 2024.

    • APA

      Ramos, T. N., Franco, L., Silva, D., & Canuto, S. (2023). Calculation of the one- and two-photon absorption spectra of water-soluble stilbene derivatives using a multiscale QM/MM approach. Chinese Journal of Chemical Physics (CJCP), 159( 2). doi:10.1063/5.0152308

    • NLM

      Ramos TN, Franco L, Silva D, Canuto S. Calculation of the one- and two-photon absorption spectra of water-soluble stilbene derivatives using a multiscale QM/MM approach [Internet]. Chinese Journal of Chemical Physics (CJCP). 2023 ; 159( 2):[citado 2024 nov. 20 ] Available from: https://doi.org/10.1063/5.0152308

    • Vancouver

      Ramos TN, Franco L, Silva D, Canuto S. Calculation of the one- and two-photon absorption spectra of water-soluble stilbene derivatives using a multiscale QM/MM approach [Internet]. Chinese Journal of Chemical Physics (CJCP). 2023 ; 159( 2):[citado 2024 nov. 20 ] Available from: https://doi.org/10.1063/5.0152308

  • Artigo de periodico

    On the population of triplet states of 2-seleno-thymine (2021)

    Valverde, Danillo ; Mai, Sebastian ; Araújo, Adalberto Vasconcelos Sanches de ; Canuto, Sylvio ; González, Leticia ; Borin, Antonio Carlos

    Source: Physical Chemistry Chemical Physics. Unidades: IF, IQ

    Subjects: FÍSICO-QUÍMICA, FOTOQUÍMICA

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      VALVERDE, Danillo et al. On the population of triplet states of 2-seleno-thymine. Physical Chemistry Chemical Physics, v. 23, p. 1-8 art. 5447 : + Supplementary materials ( S1-S5), 2021Tradução . . Disponível em: https://doi.org/10.1039/d1cp00041a. Acesso em: 20 nov. 2024.

    • APA

      Valverde, D., Mai, S., Araújo, A. V. S. de, Canuto, S., González, L., & Borin, A. C. (2021). On the population of triplet states of 2-seleno-thymine. Physical Chemistry Chemical Physics, 23, 1-8 art. 5447 : + Supplementary materials ( S1-S5). doi:10.1039/d1cp00041a

    • NLM

      Valverde D, Mai S, Araújo AVS de, Canuto S, González L, Borin AC. On the population of triplet states of 2-seleno-thymine [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 1-8 art. 5447 : + Supplementary materials ( S1-S5).[citado 2024 nov. 20 ] Available from: https://doi.org/10.1039/d1cp00041a

    • Vancouver

      Valverde D, Mai S, Araújo AVS de, Canuto S, González L, Borin AC. On the population of triplet states of 2-seleno-thymine [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 1-8 art. 5447 : + Supplementary materials ( S1-S5).[citado 2024 nov. 20 ] Available from: https://doi.org/10.1039/d1cp00041a

  • Artigo de periodico

    Free Energy Computation for an Isomerizing Chromophore in a Molecular Cavity via the Average Solvent Electrostatic Configuration Model: Applications in Rhodopsin and Rhodopsin-Mimicking Systems (2021)

    Nikolaev, Dmitrii M.; Manathunga, Madushanka ; Orozco-Gonzalez, Yoelvis ; Shtyrov, Andrey A.; Martínez, Yansel Omar Guerrero; Ryazantsev, Mikhail ; Coutinho, Kaline ; Canuto, Sylvio ; Olivucci, Massimo

    Source: Journal of Chemical Theory and Computation. Unidade: IF

    Subjects: FÍSICA MOLECULAR, MECÂNICA QUÂNTICA, FÍSICO-QUÍMICA, TERMODINÂMICA (FÍSICO-QUÍMICA)

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      NIKOLAEV, Dmitrii M. et al. Free Energy Computation for an Isomerizing Chromophore in a Molecular Cavity via the Average Solvent Electrostatic Configuration Model: Applications in Rhodopsin and Rhodopsin-Mimicking Systems. Journal of Chemical Theory and Computation, v. 17, n. 9, p. 5885-5895, 2021Tradução . . Disponível em: https://doi.org/10.1021/acs.jctc.1c00221. Acesso em: 20 nov. 2024.

    • APA

      Nikolaev, D. M., Manathunga, M., Orozco-Gonzalez, Y., Shtyrov, A. A., Martínez, Y. O. G., Ryazantsev, M., et al. (2021). Free Energy Computation for an Isomerizing Chromophore in a Molecular Cavity via the Average Solvent Electrostatic Configuration Model: Applications in Rhodopsin and Rhodopsin-Mimicking Systems. Journal of Chemical Theory and Computation, 17( 9), 5885-5895. doi:10.1021/acs.jctc.1c00221

    • NLM

      Nikolaev DM, Manathunga M, Orozco-Gonzalez Y, Shtyrov AA, Martínez YOG, Ryazantsev M, Coutinho K, Canuto S, Olivucci M. Free Energy Computation for an Isomerizing Chromophore in a Molecular Cavity via the Average Solvent Electrostatic Configuration Model: Applications in Rhodopsin and Rhodopsin-Mimicking Systems [Internet]. Journal of Chemical Theory and Computation. 2021 ; 17( 9): 5885-5895.[citado 2024 nov. 20 ] Available from: https://doi.org/10.1021/acs.jctc.1c00221

    • Vancouver

      Nikolaev DM, Manathunga M, Orozco-Gonzalez Y, Shtyrov AA, Martínez YOG, Ryazantsev M, Coutinho K, Canuto S, Olivucci M. Free Energy Computation for an Isomerizing Chromophore in a Molecular Cavity via the Average Solvent Electrostatic Configuration Model: Applications in Rhodopsin and Rhodopsin-Mimicking Systems [Internet]. Journal of Chemical Theory and Computation. 2021 ; 17( 9): 5885-5895.[citado 2024 nov. 20 ] Available from: https://doi.org/10.1021/acs.jctc.1c00221

  • Artigo de periodico

    A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution (2021)

    Cardenuto, Marcelo Hidalgo ; Cezar, Henrique ; Mikkelsen, Kurt V.; Sauer, Stephan P.A.; Coutinho, Kaline ; Canuto, Sylvio

    Source: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. Unidade: IF

    Subjects: MECÂNICA QUÂNTICA, FÍSICA MOLECULAR, ESPECTROSCOPIA DE ABSORÇÃO ATÔMICA, FÍSICO-QUÍMICA, RADIAÇÃO ELETROMAGNÉTICA, SOLVENTE, TERMOQUÍMICA

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      CARDENUTO, Marcelo Hidalgo et al. A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, v. 251, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.saa.2021.119434. Acesso em: 20 nov. 2024.

    • APA

      Cardenuto, M. H., Cezar, H., Mikkelsen, K. V., Sauer, S. P. A., Coutinho, K., & Canuto, S. (2021). A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 251. doi:10.1016/j.saa.2021.119434

    • NLM

      Cardenuto MH, Cezar H, Mikkelsen KV, Sauer SPA, Coutinho K, Canuto S. A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution [Internet]. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2021 ; 251[citado 2024 nov. 20 ] Available from: https://doi.org/10.1016/j.saa.2021.119434

    • Vancouver

      Cardenuto MH, Cezar H, Mikkelsen KV, Sauer SPA, Coutinho K, Canuto S. A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution [Internet]. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2021 ; 251[citado 2024 nov. 20 ] Available from: https://doi.org/10.1016/j.saa.2021.119434

  • Artigo de periodico

    On the spectral line width broadening for simulation of the two-photon absorption cross-section of para-Nitroaniline in liquid environment (2020)

    Ramos, Tárcius N. ; Silva, Daniel L.; Cabral, Benedito J.C.; Canuto, Sylvio

    Source: Journal of Molecular Liquids. Unidade: IF

    Subjects: FÍSICO-QUÍMICA, SOLVENTE, MECÂNICA QUÂNTICA

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      RAMOS, Tárcius N. et al. On the spectral line width broadening for simulation of the two-photon absorption cross-section of para-Nitroaniline in liquid environment. Journal of Molecular Liquids, v. 301, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molliq.2019.112405. Acesso em: 20 nov. 2024.

    • APA

      Ramos, T. N., Silva, D. L., Cabral, B. J. C., & Canuto, S. (2020). On the spectral line width broadening for simulation of the two-photon absorption cross-section of para-Nitroaniline in liquid environment. Journal of Molecular Liquids, 301. doi:10.1016/j.molliq.2019.112405

    • NLM

      Ramos TN, Silva DL, Cabral BJC, Canuto S. On the spectral line width broadening for simulation of the two-photon absorption cross-section of para-Nitroaniline in liquid environment [Internet]. Journal of Molecular Liquids. 2020 ;301[citado 2024 nov. 20 ] Available from: https://doi.org/10.1016/j.molliq.2019.112405

    • Vancouver

      Ramos TN, Silva DL, Cabral BJC, Canuto S. On the spectral line width broadening for simulation of the two-photon absorption cross-section of para-Nitroaniline in liquid environment [Internet]. Journal of Molecular Liquids. 2020 ;301[citado 2024 nov. 20 ] Available from: https://doi.org/10.1016/j.molliq.2019.112405

  • Artigo de periodico

    Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method (2020)

    Ramos, Tárcius ; Canuto, Sylvio ; Champagne, Benoît

    Source: Journal of Chemical Information and Modeling. Unidade: IF

    Subjects: FÍSICO-QUÍMICA, ÍONS ELETRÔNICOS, ÓPTICA NÃO LINEAR, MECÂNICA QUÂNTICA

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      RAMOS, Tárcius e CANUTO, Sylvio e CHAMPAGNE, Benoît. Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method. Journal of Chemical Information and Modeling, v. 60, n. 10, p. 4817–4826, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b01161. Acesso em: 20 nov. 2024.

    • APA

      Ramos, T., Canuto, S., & Champagne, B. (2020). Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method. Journal of Chemical Information and Modeling, 60( 10), 4817–4826. doi:10.1021/acs.jcim.9b01161

    • NLM

      Ramos T, Canuto S, Champagne B. Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 10): 4817–4826.[citado 2024 nov. 20 ] Available from: https://doi.org/10.1021/acs.jcim.9b01161

    • Vancouver

      Ramos T, Canuto S, Champagne B. Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 10): 4817–4826.[citado 2024 nov. 20 ] Available from: https://doi.org/10.1021/acs.jcim.9b01161

  • Artigo de periodico

    Photophysics of Emissive tzC[Isothiazolo‐Cytidine] and tzU[Isothiazolo‐Uridine] Pyrimidine Analogues (2019)

    Valverde, Danillo ; Araujo, Adalberto Vasconcelos Sanches de; Canuto, Sylvio ; Borin, Antonio Carlos

    Source: Chemphotochem. Unidades: IF, IQ

    Subjects: SOLVENTE, FÍSICO-QUÍMICA, FOTOQUÍMICA, PURINAS

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      VALVERDE, Danillo et al. Photophysics of Emissive tzC[Isothiazolo‐Cytidine] and tzU[Isothiazolo‐Uridine] Pyrimidine Analogues. Chemphotochem, v. 3, n. 9, p. 916-924, 2019Tradução . . Disponível em: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/cptc.201900072. Acesso em: 20 nov. 2024.

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      Valverde, D., Araujo, A. V. S.  de, Canuto, S., & Borin, A. C. (2019). Photophysics of Emissive tzC[Isothiazolo‐Cytidine] and tzU[Isothiazolo‐Uridine] Pyrimidine Analogues. Chemphotochem, 3( 9), 916-924. doi:10.1002/cptc.201900072

    • NLM

      Valverde D, Araujo AVS de, Canuto S, Borin AC. Photophysics of Emissive tzC[Isothiazolo‐Cytidine] and tzU[Isothiazolo‐Uridine] Pyrimidine Analogues [Internet]. Chemphotochem. 2019 ; 3( 9): 916-924.[citado 2024 nov. 20 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/cptc.201900072

    • Vancouver

      Valverde D, Araujo AVS de, Canuto S, Borin AC. Photophysics of Emissive tzC[Isothiazolo‐Cytidine] and tzU[Isothiazolo‐Uridine] Pyrimidine Analogues [Internet]. Chemphotochem. 2019 ; 3( 9): 916-924.[citado 2024 nov. 20 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/cptc.201900072

  • Trabalho de evento-resumo

    Molecular photophysics in liquid environment (2018)

    Canuto, Sylvio

    Source: Resumo. Conference titles: Encontro de Outono. Unidade: IF

    Subjects: FÍSICA, FÍSICA MOLECULAR, FÍSICO-QUÍMICA

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      CANUTO, Sylvio. Molecular photophysics in liquid environment. 2018, Anais.. São Paulo: SBF, 2018. Disponível em: https://sec.sbfisica.org.br/eventos/enfmc/xli/sys/resumos/R0290-1.pdf. Acesso em: 20 nov. 2024.

    • APA

      Canuto, S. (2018). Molecular photophysics in liquid environment. In Resumo. São Paulo: SBF. Recuperado de https://sec.sbfisica.org.br/eventos/enfmc/xli/sys/resumos/R0290-1.pdf

    • NLM

      Canuto S. Molecular photophysics in liquid environment [Internet]. Resumo. 2018 ;[citado 2024 nov. 20 ] Available from: https://sec.sbfisica.org.br/eventos/enfmc/xli/sys/resumos/R0290-1.pdf

    • Vancouver

      Canuto S. Molecular photophysics in liquid environment [Internet]. Resumo. 2018 ;[citado 2024 nov. 20 ] Available from: https://sec.sbfisica.org.br/eventos/enfmc/xli/sys/resumos/R0290-1.pdf

  • Artigo de periodico

    A theoretical study of the low-lying excited states and the photophysics of dimethoxy curcumin in cyclohexane and acetonitrile (2017)

    Ramos, Tárcius Nascimento; Canuto, Sylvio

    Source: Theoretical Chemistry Accounts. Unidade: IF

    Subjects: FÍSICO-QUÍMICA, SOLVENTE, ESPECTROSCOPIA MOLECULAR

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      RAMOS, Tárcius Nascimento e CANUTO, Sylvio. A theoretical study of the low-lying excited states and the photophysics of dimethoxy curcumin in cyclohexane and acetonitrile. Theoretical Chemistry Accounts, v. 136, n. 78, p. 1-9, 2017Tradução . . Disponível em: https://doi.org/10.1007/s00214-017-2108-9.pdf. Acesso em: 20 nov. 2024.

    • APA

      Ramos, T. N., & Canuto, S. (2017). A theoretical study of the low-lying excited states and the photophysics of dimethoxy curcumin in cyclohexane and acetonitrile. Theoretical Chemistry Accounts, 136( 78), 1-9. doi:10.1007/s00214-017-2108-9.pdf

    • NLM

      Ramos TN, Canuto S. A theoretical study of the low-lying excited states and the photophysics of dimethoxy curcumin in cyclohexane and acetonitrile [Internet]. Theoretical Chemistry Accounts. 2017 ; 136( 78): 1-9.[citado 2024 nov. 20 ] Available from: https://doi.org/10.1007/s00214-017-2108-9.pdf

    • Vancouver

      Ramos TN, Canuto S. A theoretical study of the low-lying excited states and the photophysics of dimethoxy curcumin in cyclohexane and acetonitrile [Internet]. Theoretical Chemistry Accounts. 2017 ; 136( 78): 1-9.[citado 2024 nov. 20 ] Available from: https://doi.org/10.1007/s00214-017-2108-9.pdf

  • Editor de periodico

    Proceedings of the 16th Brazilian symposium of theoretical chemistry (2012)

    Duarte, Hélio; Canuto, Sylvio

    Source: International Journal of Quantum Chemistry. Unidade: IF

    Subjects: QUÍMICA TEÓRICA, QUÍMICA QUÂNTICA, FÍSICO-QUÍMICA

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      DUARTE, Hélio e CANUTO, Sylvio. Proceedings of the 16th Brazilian symposium of theoretical chemistry. International Journal of Quantum Chemistry. New York: Wiley. Disponível em: http://onlinelibrary.wiley.com/doi/10.1002/qua.24261/abstract;jsessionid=988AEF50420D8AF23A10729B73134A99.d03t01. Acesso em: 20 nov. 2024. , 2012

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      Duarte, H., & Canuto, S. (2012). Proceedings of the 16th Brazilian symposium of theoretical chemistry. International Journal of Quantum Chemistry. New York: Wiley. Recuperado de http://onlinelibrary.wiley.com/doi/10.1002/qua.24261/abstract;jsessionid=988AEF50420D8AF23A10729B73134A99.d03t01

    • NLM

      Duarte H, Canuto S. Proceedings of the 16th Brazilian symposium of theoretical chemistry [Internet]. International Journal of Quantum Chemistry. 2012 ;112( ju2012): 3131.[citado 2024 nov. 20 ] Available from: http://onlinelibrary.wiley.com/doi/10.1002/qua.24261/abstract;jsessionid=988AEF50420D8AF23A10729B73134A99.d03t01

    • Vancouver

      Duarte H, Canuto S. Proceedings of the 16th Brazilian symposium of theoretical chemistry [Internet]. International Journal of Quantum Chemistry. 2012 ;112( ju2012): 3131.[citado 2024 nov. 20 ] Available from: http://onlinelibrary.wiley.com/doi/10.1002/qua.24261/abstract;jsessionid=988AEF50420D8AF23A10729B73134A99.d03t01

  • Artigo de periodico

    Electronic properties of water in liquid environment: a sequential QM/MM study using the free energy gradient method (2012)

    Georg, Herbert de Castro ; Canuto, Sylvio

    Source: Journal of Physical Chemistry B. Unidade: IF

    Subjects: FÍSICO-QUÍMICA, MECÂNICA QUÂNTICA, MÉTODO DE MONTE CARLO

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      GEORG, Herbert de Castro e CANUTO, Sylvio. Electronic properties of water in liquid environment: a sequential QM/MM study using the free energy gradient method. Journal of Physical Chemistry B, v. 116, n. 36 p.11247–11254, 2012Tradução . . Disponível em: https://doi.org/10.1021/jp304201b. Acesso em: 20 nov. 2024.

    • APA

      Georg, H. de C., & Canuto, S. (2012). Electronic properties of water in liquid environment: a sequential QM/MM study using the free energy gradient method. Journal of Physical Chemistry B, 116( 36 p.11247–11254). doi:10.1021/jp304201b

    • NLM

      Georg H de C, Canuto S. Electronic properties of water in liquid environment: a sequential QM/MM study using the free energy gradient method [Internet]. Journal of Physical Chemistry B. 2012 ;116( 36 p.11247–11254):[citado 2024 nov. 20 ] Available from: https://doi.org/10.1021/jp304201b

    • Vancouver

      Georg H de C, Canuto S. Electronic properties of water in liquid environment: a sequential QM/MM study using the free energy gradient method [Internet]. Journal of Physical Chemistry B. 2012 ;116( 36 p.11247–11254):[citado 2024 nov. 20 ] Available from: https://doi.org/10.1021/jp304201b

  • Artigo de periodico

    Theoretical study of the absorption and nonradiative deactivation of 1-nitronaphthalene in the low-lying singlet and triplet excited states including methanol and ethanol solvent effects (2012)

    Orozco-Gonzalez, Yoelvis; Peon, Jorge; Coutinho, Kaline ; Canuto, Sylvio

    Source: Journal of Chemical Physics. Unidade: IF

    Subjects: FOSFORESCÊNCIA, ESPECTROSCOPIA ULTRAVIOLETA, FÍSICO-QUÍMICA

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      OROZCO-GONZALEZ, Yoelvis et al. Theoretical study of the absorption and nonradiative deactivation of 1-nitronaphthalene in the low-lying singlet and triplet excited states including methanol and ethanol solvent effects. Journal of Chemical Physics, v. 137, n. 5, p. 054307, 2012Tradução . . Disponível em: https://doi.org/10.1063/1.4738757. Acesso em: 20 nov. 2024.

    • APA

      Orozco-Gonzalez, Y., Peon, J., Coutinho, K., & Canuto, S. (2012). Theoretical study of the absorption and nonradiative deactivation of 1-nitronaphthalene in the low-lying singlet and triplet excited states including methanol and ethanol solvent effects. Journal of Chemical Physics, 137( 5), 054307. doi:10.1063/1.4738757

    • NLM

      Orozco-Gonzalez Y, Peon J, Coutinho K, Canuto S. Theoretical study of the absorption and nonradiative deactivation of 1-nitronaphthalene in the low-lying singlet and triplet excited states including methanol and ethanol solvent effects [Internet]. Journal of Chemical Physics. 2012 ;137( 5): 054307.[citado 2024 nov. 20 ] Available from: https://doi.org/10.1063/1.4738757

    • Vancouver

      Orozco-Gonzalez Y, Peon J, Coutinho K, Canuto S. Theoretical study of the absorption and nonradiative deactivation of 1-nitronaphthalene in the low-lying singlet and triplet excited states including methanol and ethanol solvent effects [Internet]. Journal of Chemical Physics. 2012 ;137( 5): 054307.[citado 2024 nov. 20 ] Available from: https://doi.org/10.1063/1.4738757

  • Artigo de periodico

    Ionization of chlorophyll-c2 in liquid methanol (2012)

    Jaramillo, Paula; Cabral, Benedito J. Costa; Coutinho, Kaline ; Canuto, Sylvio

    Source: Chemical Physics Letters. Unidades: IF, IQ

    Subjects: MECÂNICA QUÂNTICA, MÉTODO DE MONTE CARLO, FÍSICO-QUÍMICA

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    • ABNT

      JARAMILLO, Paula et al. Ionization of chlorophyll-c2 in liquid methanol. Chemical Physics Letters, v. 546, n. 12, p. 67-73, 2012Tradução . . Disponível em: https://doi.org/10.1016/j.cplett.2012.07.040. Acesso em: 20 nov. 2024.

    • APA

      Jaramillo, P., Cabral, B. J. C., Coutinho, K., & Canuto, S. (2012). Ionization of chlorophyll-c2 in liquid methanol. Chemical Physics Letters, 546( 12), 67-73. doi:10.1016/j.cplett.2012.07.040

    • NLM

      Jaramillo P, Cabral BJC, Coutinho K, Canuto S. Ionization of chlorophyll-c2 in liquid methanol [Internet]. Chemical Physics Letters. 2012 ;546( 12): 67-73.[citado 2024 nov. 20 ] Available from: https://doi.org/10.1016/j.cplett.2012.07.040

    • Vancouver

      Jaramillo P, Cabral BJC, Coutinho K, Canuto S. Ionization of chlorophyll-c2 in liquid methanol [Internet]. Chemical Physics Letters. 2012 ;546( 12): 67-73.[citado 2024 nov. 20 ] Available from: https://doi.org/10.1016/j.cplett.2012.07.040

  • Artigo de periodico

    The Role of Molecular Conformation and Polarizable Embedding for One- and Two-Photon Absorption of Disperse Orange 3 in Solution (2012)

    Silva, Daniel Luiz da; Murugan, N Arul; Kongsted, Jacob; Rinkevicius, Zilvinas; Canuto, Sylvio ; Agren, Hans

    Source: Journal of Physical Chemistry B. Unidade: IF

    Subjects: FÍSICO-QUÍMICA, QUÍMICA QUÂNTICA

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    • ABNT

      SILVA, Daniel Luiz da et al. The Role of Molecular Conformation and Polarizable Embedding for One- and Two-Photon Absorption of Disperse Orange 3 in Solution. Journal of Physical Chemistry B, v. 116, n. 30, p. 8023-8030, 2012Tradução . . Disponível em: https://doi.org/10.1021/jp3032034. Acesso em: 20 nov. 2024.

    • APA

      Silva, D. L. da, Murugan, N. A., Kongsted, J., Rinkevicius, Z., Canuto, S., & Agren, H. (2012). The Role of Molecular Conformation and Polarizable Embedding for One- and Two-Photon Absorption of Disperse Orange 3 in Solution. Journal of Physical Chemistry B, 116( 30), 8023-8030. doi:10.1021/jp3032034

    • NLM

      Silva DL da, Murugan NA, Kongsted J, Rinkevicius Z, Canuto S, Agren H. The Role of Molecular Conformation and Polarizable Embedding for One- and Two-Photon Absorption of Disperse Orange 3 in Solution [Internet]. Journal of Physical Chemistry B. 2012 ; 116( 30): 8023-8030.[citado 2024 nov. 20 ] Available from: https://doi.org/10.1021/jp3032034

    • Vancouver

      Silva DL da, Murugan NA, Kongsted J, Rinkevicius Z, Canuto S, Agren H. The Role of Molecular Conformation and Polarizable Embedding for One- and Two-Photon Absorption of Disperse Orange 3 in Solution [Internet]. Journal of Physical Chemistry B. 2012 ; 116( 30): 8023-8030.[citado 2024 nov. 20 ] Available from: https://doi.org/10.1021/jp3032034

  • Artigo de periodico

    CASPT2 Study of the Potential Energy Surface of the 'HSO IND.2' System (2011)

    Garrido, Juan D; Ballester, Maikel Y; Orozco-Gonzalez, Yoelvis ; Canuto, Sylvio

    Source: The Journal of Physical Chemistry A. Unidades: IF, FFLCH

    Assunto: FÍSICO-QUÍMICA

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    • ABNT

      GARRIDO, Juan D et al. CASPT2 Study of the Potential Energy Surface of the 'HSO IND.2' System. The Journal of Physical Chemistry A, v. 115, n. 9, p. 1453-1461, 2011Tradução . . Disponível em: https://doi.org/10.1021/jp108460v. Acesso em: 20 nov. 2024.

    • APA

      Garrido, J. D., Ballester, M. Y., Orozco-Gonzalez, Y., & Canuto, S. (2011). CASPT2 Study of the Potential Energy Surface of the 'HSO IND.2' System. The Journal of Physical Chemistry A, 115( 9), 1453-1461. doi:10.1021/jp108460v

    • NLM

      Garrido JD, Ballester MY, Orozco-Gonzalez Y, Canuto S. CASPT2 Study of the Potential Energy Surface of the 'HSO IND.2' System [Internet]. The Journal of Physical Chemistry A. 2011 ;115( 9): 1453-1461.[citado 2024 nov. 20 ] Available from: https://doi.org/10.1021/jp108460v

    • Vancouver

      Garrido JD, Ballester MY, Orozco-Gonzalez Y, Canuto S. CASPT2 Study of the Potential Energy Surface of the 'HSO IND.2' System [Internet]. The Journal of Physical Chemistry A. 2011 ;115( 9): 1453-1461.[citado 2024 nov. 20 ] Available from: https://doi.org/10.1021/jp108460v

  • Artigo de periodico

    Many-body energy decomposition of hydrogen-bonded glycine clusters in gas-phase (2010)

    Chaudhuri, Puspitapallab; Canuto, Sylvio

    Source: Chemical Physics Letters. Unidade: IF

    Assunto: FÍSICO-QUÍMICA

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    • ABNT

      CHAUDHURI, Puspitapallab e CANUTO, Sylvio. Many-body energy decomposition of hydrogen-bonded glycine clusters in gas-phase. Chemical Physics Letters, v. 491, n. 1-3, p. 86-90, 2010Tradução . . Disponível em: https://doi.org/10.1016/j.cplett.2010.03.078. Acesso em: 20 nov. 2024.

    • APA

      Chaudhuri, P., & Canuto, S. (2010). Many-body energy decomposition of hydrogen-bonded glycine clusters in gas-phase. Chemical Physics Letters, 491( 1-3), 86-90. doi:10.1016/j.cplett.2010.03.078

    • NLM

      Chaudhuri P, Canuto S. Many-body energy decomposition of hydrogen-bonded glycine clusters in gas-phase [Internet]. Chemical Physics Letters. 2010 ; 491( 1-3): 86-90.[citado 2024 nov. 20 ] Available from: https://doi.org/10.1016/j.cplett.2010.03.078

    • Vancouver

      Chaudhuri P, Canuto S. Many-body energy decomposition of hydrogen-bonded glycine clusters in gas-phase [Internet]. Chemical Physics Letters. 2010 ; 491( 1-3): 86-90.[citado 2024 nov. 20 ] Available from: https://doi.org/10.1016/j.cplett.2010.03.078

  • Artigo de periodico

    Characterization and spectroscopic analysis of phenol–ethanol hydrogen bonded clusters (2010)

    Barreto, Rafael C; Canuto, Sylvio

    Source: Chemical Physics Letters. Unidade: IF

    Subjects: FÍSICO-QUÍMICA, MÉTODO DE MONTE CARLO, ANÁLISE ESPECTROSCÓPICA, ETANOL

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      BARRETO, Rafael C e CANUTO, Sylvio. Characterization and spectroscopic analysis of phenol–ethanol hydrogen bonded clusters. Chemical Physics Letters, v. 496, n. 4-6, p. 236-242, 2010Tradução . . Disponível em: https://doi.org/10.1016/j.cplett.2010.07.058. Acesso em: 20 nov. 2024.

    • APA

      Barreto, R. C., & Canuto, S. (2010). Characterization and spectroscopic analysis of phenol–ethanol hydrogen bonded clusters. Chemical Physics Letters, 496( 4-6), 236-242. doi:10.1016/j.cplett.2010.07.058

    • NLM

      Barreto RC, Canuto S. Characterization and spectroscopic analysis of phenol–ethanol hydrogen bonded clusters [Internet]. Chemical Physics Letters. 2010 ; 496( 4-6): 236-242.[citado 2024 nov. 20 ] Available from: https://doi.org/10.1016/j.cplett.2010.07.058

    • Vancouver

      Barreto RC, Canuto S. Characterization and spectroscopic analysis of phenol–ethanol hydrogen bonded clusters [Internet]. Chemical Physics Letters. 2010 ; 496( 4-6): 236-242.[citado 2024 nov. 20 ] Available from: https://doi.org/10.1016/j.cplett.2010.07.058

  • Trabalho de evento-resumo

    Estudo comparativo para a emissão da adenina e aminopurina em meio aquoso (2009)

    Ludwig, Valdemir; Ludwig, Zélia M. da Costa; Anjos, Virgílio de Carvalho dos; Borin, Antonio Carlos ; Canuto, Sylvio; Serrano-Andrés, Luis; Amaral, Marcos Serrou do

    Source: Livro de Resumos. Conference titles: Simpósio Brasileiro de Química Teórica. Unidades: IQ, IF

    Subjects: FÍSICO-QUÍMICA, ESTRUTURA QUÍMICA

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    • ABNT

      LUDWIG, Valdemir et al. Estudo comparativo para a emissão da adenina e aminopurina em meio aquoso. 2009, Anais.. São Paulo: Sociedade Brasileira de Química Teórica, 2009. . Acesso em: 20 nov. 2024.

    • APA

      Ludwig, V., Ludwig, Z. M. da C., Anjos, V. de C. dos, Borin, A. C., Canuto, S., Serrano-Andrés, L., & Amaral, M. S. do. (2009). Estudo comparativo para a emissão da adenina e aminopurina em meio aquoso. In Livro de Resumos. São Paulo: Sociedade Brasileira de Química Teórica.

    • NLM

      Ludwig V, Ludwig ZM da C, Anjos V de C dos, Borin AC, Canuto S, Serrano-Andrés L, Amaral MS do. Estudo comparativo para a emissão da adenina e aminopurina em meio aquoso. Livro de Resumos. 2009 ;[citado 2024 nov. 20 ]

    • Vancouver

      Ludwig V, Ludwig ZM da C, Anjos V de C dos, Borin AC, Canuto S, Serrano-Andrés L, Amaral MS do. Estudo comparativo para a emissão da adenina e aminopurina em meio aquoso. Livro de Resumos. 2009 ;[citado 2024 nov. 20 ]

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