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  • Source: Journal of Physical Chemistry A. Unidade: IQ

    Subjects: QUÍMICA QUÂNTICA, TERAPIA FOTODINÂMICA

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      MIGUEL, Miriam Navarrete et al. Quantum-chemistry study of the Photophysical properties of 4-thiouracil and comparisons with 2-thiouracil. Journal of Physical Chemistry A, v. 128, n. 12, p. 2273–2285, 2024Tradução . . Disponível em: dx.doi.org/10.1021/acs.jpca.3c06310. Acesso em: 15 jun. 2024.
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      Miguel, M. N., Giussani, A., Rubio, M., Pasqua, M. B., Borin, A. C., & Sanjuan, D. R. (2024). Quantum-chemistry study of the Photophysical properties of 4-thiouracil and comparisons with 2-thiouracil. Journal of Physical Chemistry A, 128( 12), 2273–2285. doi:10.1021/acs.jpca.3c06310
    • NLM

      Miguel MN, Giussani A, Rubio M, Pasqua MB, Borin AC, Sanjuan DR. Quantum-chemistry study of the Photophysical properties of 4-thiouracil and comparisons with 2-thiouracil [Internet]. Journal of Physical Chemistry A. 2024 ; 128( 12): 2273–2285.[citado 2024 jun. 15 ] Available from: dx.doi.org/10.1021/acs.jpca.3c06310
    • Vancouver

      Miguel MN, Giussani A, Rubio M, Pasqua MB, Borin AC, Sanjuan DR. Quantum-chemistry study of the Photophysical properties of 4-thiouracil and comparisons with 2-thiouracil [Internet]. Journal of Physical Chemistry A. 2024 ; 128( 12): 2273–2285.[citado 2024 jun. 15 ] Available from: dx.doi.org/10.1021/acs.jpca.3c06310
  • Source: Journal of Physical Chemistry A. Unidade: IQ

    Subjects: LUMINESCÊNCIA, ÍONS, MOLÉCULA

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      ARAÚJO, Adalberto Vasconcelos Sanches de e BORIN, Antonio Carlos. Water solvated Zn(II)-guanine complex: structural aspects and luminescence properties. Journal of Physical Chemistry A, v. 127, n. 40, p. 8297-8306, 2023Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.3c04132. Acesso em: 15 jun. 2024.
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      Araújo, A. V. S. de, & Borin, A. C. (2023). Water solvated Zn(II)-guanine complex: structural aspects and luminescence properties. Journal of Physical Chemistry A, 127( 40), 8297-8306. doi:10.1021/acs.jpca.3c04132
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      Araújo AVS de, Borin AC. Water solvated Zn(II)-guanine complex: structural aspects and luminescence properties [Internet]. Journal of Physical Chemistry A. 2023 ; 127( 40): 8297-8306.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.3c04132
    • Vancouver

      Araújo AVS de, Borin AC. Water solvated Zn(II)-guanine complex: structural aspects and luminescence properties [Internet]. Journal of Physical Chemistry A. 2023 ; 127( 40): 8297-8306.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.3c04132
  • Source: Journal of Physical Chemistry A. Unidade: IQ

    Subjects: NANOPARTÍCULAS, ESPECTROSCOPIA RAMAN

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      ARAÚJO, Adalberto Vasconcelos Sanches de e RANGEL, Clara de Jesus e ANDO, Rômulo Augusto. Multiconfigurational calculations and experimental resonant Raman/SERRS of a donor–acceptor Thiadiazole Dye. Journal of Physical Chemistry A, v. 127, n. 51, p. 10789–10796, 2023Tradução . . Disponível em: https://dx.doi.org/10.1021/acs.jpca.3c04798. Acesso em: 15 jun. 2024.
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      Araújo, A. V. S. de, Rangel, C. de J., & Ando, R. A. (2023). Multiconfigurational calculations and experimental resonant Raman/SERRS of a donor–acceptor Thiadiazole Dye. Journal of Physical Chemistry A, 127( 51), 10789–10796. doi:10.1021/acs.jpca.3c04798
    • NLM

      Araújo AVS de, Rangel C de J, Ando RA. Multiconfigurational calculations and experimental resonant Raman/SERRS of a donor–acceptor Thiadiazole Dye [Internet]. Journal of Physical Chemistry A. 2023 ; 127( 51): 10789–10796.[citado 2024 jun. 15 ] Available from: https://dx.doi.org/10.1021/acs.jpca.3c04798
    • Vancouver

      Araújo AVS de, Rangel C de J, Ando RA. Multiconfigurational calculations and experimental resonant Raman/SERRS of a donor–acceptor Thiadiazole Dye [Internet]. Journal of Physical Chemistry A. 2023 ; 127( 51): 10789–10796.[citado 2024 jun. 15 ] Available from: https://dx.doi.org/10.1021/acs.jpca.3c04798
  • Source: Journal of Physical Chemistry A. Unidade: IQ

    Subjects: INFRAVERMELHO, ESPECTROSCOPIA

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      FERNANDES, André Santos et al. Protonated and Sodiated cyclophosphamide fragmentation pathways evaluation by infrared multiple photon dissociation spectroscopy. Journal of Physical Chemistry A, v. 127, p. 5152−5161, 2023Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.3c01323. Acesso em: 15 jun. 2024.
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      Fernandes, A. S., Obeid, G., Laureno, T. J. N., & Correra, T. C. (2023). Protonated and Sodiated cyclophosphamide fragmentation pathways evaluation by infrared multiple photon dissociation spectroscopy. Journal of Physical Chemistry A, 127, 5152−5161. doi:10.1021/acs.jpca.3c01323
    • NLM

      Fernandes AS, Obeid G, Laureno TJN, Correra TC. Protonated and Sodiated cyclophosphamide fragmentation pathways evaluation by infrared multiple photon dissociation spectroscopy [Internet]. Journal of Physical Chemistry A. 2023 ; 127 5152−5161.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.3c01323
    • Vancouver

      Fernandes AS, Obeid G, Laureno TJN, Correra TC. Protonated and Sodiated cyclophosphamide fragmentation pathways evaluation by infrared multiple photon dissociation spectroscopy [Internet]. Journal of Physical Chemistry A. 2023 ; 127 5152−5161.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.3c01323
  • Source: Journal of Physical Chemistry A. Unidade: IFSC

    Subjects: ÓPTICA NÃO LINEAR, FOTÔNICA

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      SCIUTI, Lucas Fiocco et al. Modeling the first-order molecular hyperpolarizability dispersion from experimentally obtained one- and two-photon absorption. Journal of Physical Chemistry A, v. 126, n. 14, p. 2152-2159, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.1c10559. Acesso em: 15 jun. 2024.
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      Sciuti, L. F., Abegão, L. M. G., Santos, C. H. D. dos, Cocca, L. H. Z., Costa, R. G. M. da, Limberger, J., et al. (2022). Modeling the first-order molecular hyperpolarizability dispersion from experimentally obtained one- and two-photon absorption. Journal of Physical Chemistry A, 126( 14), 2152-2159. doi:10.1021/acs.jpca.1c10559
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      Sciuti LF, Abegão LMG, Santos CHD dos, Cocca LHZ, Costa RGM da, Limberger J, Misoguti L, Mendonça CR, De Boni L. Modeling the first-order molecular hyperpolarizability dispersion from experimentally obtained one- and two-photon absorption [Internet]. Journal of Physical Chemistry A. 2022 ; 126( 14): 2152-2159.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.1c10559
    • Vancouver

      Sciuti LF, Abegão LMG, Santos CHD dos, Cocca LHZ, Costa RGM da, Limberger J, Misoguti L, Mendonça CR, De Boni L. Modeling the first-order molecular hyperpolarizability dispersion from experimentally obtained one- and two-photon absorption [Internet]. Journal of Physical Chemistry A. 2022 ; 126( 14): 2152-2159.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.1c10559
  • Source: Journal of Physical Chemistry A. Unidade: IF

    Assunto: ELÉTRONS

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      MIRANDA, Ely Giancoli Ferreira de e CORNETTA, Lucas Medeiros e VARELLA, Márcio Teixeira do Nascimento. Low-Energy Electron Interactions with Resveratrol and Resorcinol: Anion States and Likely Dissociation Pathways. Journal of Physical Chemistry A, v. 126, p. 7667−7674, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.2c05789. Acesso em: 15 jun. 2024.
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      Miranda, E. G. F. de, Cornetta, L. M., & Varella, M. T. do N. (2022). Low-Energy Electron Interactions with Resveratrol and Resorcinol: Anion States and Likely Dissociation Pathways. Journal of Physical Chemistry A, 126, 7667−7674. doi:10.1021/acs.jpca.2c05789
    • NLM

      Miranda EGF de, Cornetta LM, Varella MT do N. Low-Energy Electron Interactions with Resveratrol and Resorcinol: Anion States and Likely Dissociation Pathways [Internet]. Journal of Physical Chemistry A. 2022 ; 126 7667−7674.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.2c05789
    • Vancouver

      Miranda EGF de, Cornetta LM, Varella MT do N. Low-Energy Electron Interactions with Resveratrol and Resorcinol: Anion States and Likely Dissociation Pathways [Internet]. Journal of Physical Chemistry A. 2022 ; 126 7667−7674.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.2c05789
  • Source: Journal of Physical Chemistry A. Unidade: IFSC

    Subjects: ÓPTICA NÃO LINEAR, FOTÔNICA

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      VIVAS, Marcelo G. et al. Molecular structure-optical property relationship of salicylidene derivatives: a study on the first-order hyperpolarizability. Journal of Physical Chemistry A, v. 125, n. Ja 2021, p. 99-105, 2021Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.0c08530. Acesso em: 15 jun. 2024.
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      Vivas, M. G., Barboza, C. A., Germino, J. C., Fonseca, R. D., Silva, D. L., Vazquez, P. A. M., et al. (2021). Molecular structure-optical property relationship of salicylidene derivatives: a study on the first-order hyperpolarizability. Journal of Physical Chemistry A, 125( Ja 2021), 99-105. doi:10.1021/acs.jpca.0c08530
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      Vivas MG, Barboza CA, Germino JC, Fonseca RD, Silva DL, Vazquez PAM, Atvars TDZ, Mendonça CR, De Boni L. Molecular structure-optical property relationship of salicylidene derivatives: a study on the first-order hyperpolarizability [Internet]. Journal of Physical Chemistry A. 2021 ; 125( Ja 2021): 99-105.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.0c08530
    • Vancouver

      Vivas MG, Barboza CA, Germino JC, Fonseca RD, Silva DL, Vazquez PAM, Atvars TDZ, Mendonça CR, De Boni L. Molecular structure-optical property relationship of salicylidene derivatives: a study on the first-order hyperpolarizability [Internet]. Journal of Physical Chemistry A. 2021 ; 125( Ja 2021): 99-105.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.0c08530
  • Source: Journal of Physical Chemistry A. Unidade: IQSC

    Subjects: AMINOÁCIDOS, RESÍDUOS

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      NUÑEZ-REYES, Dianailys et al. Tunneling Enhancement of the Gas-Phase CH + CO2 Reaction at Low Temperature. Journal of Physical Chemistry A, v. 124, n. 51, p. 10717–10725, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.0c08070. Acesso em: 15 jun. 2024.
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      Nuñez-Reyes, D., Hickson, K. M., Loison, J. -C., Spada, R. F. K., Vichietti, R. M., Machado, F. B. C., & Haiduke, R. L. A. (2020). Tunneling Enhancement of the Gas-Phase CH + CO2 Reaction at Low Temperature. Journal of Physical Chemistry A, 124( 51), 10717–10725. doi:10.1021/acs.jpca.0c08070
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      Nuñez-Reyes D, Hickson KM, Loison J-C, Spada RFK, Vichietti RM, Machado FBC, Haiduke RLA. Tunneling Enhancement of the Gas-Phase CH + CO2 Reaction at Low Temperature [Internet]. Journal of Physical Chemistry A. 2020 ; 124( 51): 10717–10725.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.0c08070
    • Vancouver

      Nuñez-Reyes D, Hickson KM, Loison J-C, Spada RFK, Vichietti RM, Machado FBC, Haiduke RLA. Tunneling Enhancement of the Gas-Phase CH + CO2 Reaction at Low Temperature [Internet]. Journal of Physical Chemistry A. 2020 ; 124( 51): 10717–10725.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.0c08070
  • Source: Journal of Physical Chemistry A. Unidades: IF, IQ

    Assunto: SOLVATAÇÃO

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      ARAÚJO, Adalberto Vasconcelos Sanches de et al. Solvation Structures and Deactivation Pathways of Luminescent Isothiazole-Derived Nucleobases: tzA, tzG, and tzI. Journal of Physical Chemistry A, v. 124, n. 34, p. 6834−6844, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.0c03398. Acesso em: 15 jun. 2024.
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      Araújo, A. V. S. de, Valverde, D., Canuto, S. R. A., & Borin, A. C. (2020). Solvation Structures and Deactivation Pathways of Luminescent Isothiazole-Derived Nucleobases: tzA, tzG, and tzI. Journal of Physical Chemistry A, 124( 34), 6834−6844. doi:10.1021/acs.jpca.0c03398
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      Araújo AVS de, Valverde D, Canuto SRA, Borin AC. Solvation Structures and Deactivation Pathways of Luminescent Isothiazole-Derived Nucleobases: tzA, tzG, and tzI [Internet]. Journal of Physical Chemistry A. 2020 ; 124( 34): 6834−6844.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.0c03398
    • Vancouver

      Araújo AVS de, Valverde D, Canuto SRA, Borin AC. Solvation Structures and Deactivation Pathways of Luminescent Isothiazole-Derived Nucleobases: tzA, tzG, and tzI [Internet]. Journal of Physical Chemistry A. 2020 ; 124( 34): 6834−6844.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.0c03398
  • Source: Journal of Physical Chemistry A. Unidades: IQSC, ICMC

    Assunto: QUÍMICA QUÂNTICA

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      PINHEIRO, Gabriel A. et al. Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset. Journal of Physical Chemistry A, v. No 2020, n. 47, p. 9854–9866, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.0c05969. Acesso em: 15 jun. 2024.
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      Pinheiro, G. A., Mucelini, J., Soares, M. D., Prati, R. C., Silva, J. L. F. da, & Quiles, M. G. (2020). Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset. Journal of Physical Chemistry A, No 2020( 47), 9854–9866. doi:10.1021/acs.jpca.0c05969
    • NLM

      Pinheiro GA, Mucelini J, Soares MD, Prati RC, Silva JLF da, Quiles MG. Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset [Internet]. Journal of Physical Chemistry A. 2020 ; No 2020( 47): 9854–9866.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.0c05969
    • Vancouver

      Pinheiro GA, Mucelini J, Soares MD, Prati RC, Silva JLF da, Quiles MG. Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset [Internet]. Journal of Physical Chemistry A. 2020 ; No 2020( 47): 9854–9866.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.0c05969
  • Source: Journal of Physical Chemistry A. Unidade: IF

    Assunto: ESPALHAMENTO

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      KIATAKI, M B et al. Shape Resonances and Elastic Cross Sections in Electron Scatteringby CF3Br and CF3I. Journal of Physical Chemistry A, v. 124, n. 42, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.0c07845. Acesso em: 15 jun. 2024.
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      Kiataki, M. B., Varella, M. T. do N., Bettega, M. H. F., & Kossoski, F. (2020). Shape Resonances and Elastic Cross Sections in Electron Scatteringby CF3Br and CF3I. Journal of Physical Chemistry A, 124( 42). doi:10.1021/acs.jpca.0c07845
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      Kiataki MB, Varella MT do N, Bettega MHF, Kossoski F. Shape Resonances and Elastic Cross Sections in Electron Scatteringby CF3Br and CF3I [Internet]. Journal of Physical Chemistry A. 2020 ; 124( 42):[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.0c07845
    • Vancouver

      Kiataki MB, Varella MT do N, Bettega MHF, Kossoski F. Shape Resonances and Elastic Cross Sections in Electron Scatteringby CF3Br and CF3I [Internet]. Journal of Physical Chemistry A. 2020 ; 124( 42):[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.0c07845
  • Source: Journal of Physical Chemistry A. Unidades: IFSC, EACH

    Subjects: FILMES FINOS, POLÍMEROS (MATERIAIS), NANOPARTÍCULAS

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      SILVA, Silésia de Fátima Curcino da et al. Decoupling temperature-volume effects on Poly[2-Methoxy-5-(2′- Ethylhexyloxy)-1,4-Phenylene-Vinylene] films at the β‑relaxation temperature. Journal of Physical Chemistry A, v. 124, n. 26, p. 5496-5501, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.0c04142. Acesso em: 15 jun. 2024.
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      Silva, S. de F. C. da, Foschini, M., Tozoni, J. R., Oliveira Junior, O. N. de, Campana, P. T., & Marletta, A. (2020). Decoupling temperature-volume effects on Poly[2-Methoxy-5-(2′- Ethylhexyloxy)-1,4-Phenylene-Vinylene] films at the β‑relaxation temperature. Journal of Physical Chemistry A, 124( 26), 5496-5501. doi:10.1021/acs.jpca.0c04142
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      Silva S de FC da, Foschini M, Tozoni JR, Oliveira Junior ON de, Campana PT, Marletta A. Decoupling temperature-volume effects on Poly[2-Methoxy-5-(2′- Ethylhexyloxy)-1,4-Phenylene-Vinylene] films at the β‑relaxation temperature [Internet]. Journal of Physical Chemistry A. 2020 ; 124( 26): 5496-5501.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.0c04142
    • Vancouver

      Silva S de FC da, Foschini M, Tozoni JR, Oliveira Junior ON de, Campana PT, Marletta A. Decoupling temperature-volume effects on Poly[2-Methoxy-5-(2′- Ethylhexyloxy)-1,4-Phenylene-Vinylene] films at the β‑relaxation temperature [Internet]. Journal of Physical Chemistry A. 2020 ; 124( 26): 5496-5501.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.0c04142
  • Source: Journal of Physical Chemistry A. Unidade: IF

    Assunto: ESPECTROMETRIA DE MASSAS

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      MARTINEZ, R et al. Production of hydronium ion (H3O)+ and protonated water clusters (H2O)nH+ after energetic ion bombardment of water ice in astrophysical environments. Journal of Physical Chemistry A, v. 123, p. 8001−8008, 2019Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.9b05029. Acesso em: 15 jun. 2024.
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      Martinez, R., Agnihotri, A. N., Boduch, P., Domaracka, A., Fulvio, D., Muniz, G. S. V., et al. (2019). Production of hydronium ion (H3O)+ and protonated water clusters (H2O)nH+ after energetic ion bombardment of water ice in astrophysical environments. Journal of Physical Chemistry A, 123, 8001−8008. doi:10.1021/acs.jpca.9b05029
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      Martinez R, Agnihotri AN, Boduch P, Domaracka A, Fulvio D, Muniz GSV, Palumbo ME, Rothard H, Strazzulla G. Production of hydronium ion (H3O)+ and protonated water clusters (H2O)nH+ after energetic ion bombardment of water ice in astrophysical environments [Internet]. Journal of Physical Chemistry A. 2019 ; 123 8001−8008.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.9b05029
    • Vancouver

      Martinez R, Agnihotri AN, Boduch P, Domaracka A, Fulvio D, Muniz GSV, Palumbo ME, Rothard H, Strazzulla G. Production of hydronium ion (H3O)+ and protonated water clusters (H2O)nH+ after energetic ion bombardment of water ice in astrophysical environments [Internet]. Journal of Physical Chemistry A. 2019 ; 123 8001−8008.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.9b05029
  • Source: Journal of Physical Chemistry A. Unidade: IFSC

    Subjects: FOTÔNICA, ÓPTICA NÃO LINEAR, CORANTES

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      MELHADO, Marlon dos Santos et al. Absolute nonlinear refractive index spectra determination of organic molecules in solutions. Journal of Physical Chemistry A, v. 123, n. Ja 2019, p. 951-957, 2019Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.8b10984. Acesso em: 15 jun. 2024.
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      Melhado, M. dos S., Barbano, E. C., Vivas, M. G., Zílio, S. C., & Misoguti, L. (2019). Absolute nonlinear refractive index spectra determination of organic molecules in solutions. Journal of Physical Chemistry A, 123( Ja 2019), 951-957. doi:10.1021/acs.jpca.8b10984
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      Melhado M dos S, Barbano EC, Vivas MG, Zílio SC, Misoguti L. Absolute nonlinear refractive index spectra determination of organic molecules in solutions [Internet]. Journal of Physical Chemistry A. 2019 ; 123( Ja 2019): 951-957.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.8b10984
    • Vancouver

      Melhado M dos S, Barbano EC, Vivas MG, Zílio SC, Misoguti L. Absolute nonlinear refractive index spectra determination of organic molecules in solutions [Internet]. Journal of Physical Chemistry A. 2019 ; 123( Ja 2019): 951-957.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.8b10984
  • Source: Journal of Physical Chemistry A. Unidade: IQ

    Subjects: FÍSICO-QUÍMICA, ESPECTROSCOPIA

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      FERNANDES, André Santos e MAITRE, Philippe e CORRERA, Thiago Carita. Evaluation of the katsuki-sharpless epoxidation precatalysts by ESI-FTMS, CID, and IRMPD spectroscopy. Journal of Physical Chemistry A, v. 123, n. 5, p. 1022-1029, 2019Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.8b09979. Acesso em: 15 jun. 2024.
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      Fernandes, A. S., Maitre, P., & Correra, T. C. (2019). Evaluation of the katsuki-sharpless epoxidation precatalysts by ESI-FTMS, CID, and IRMPD spectroscopy. Journal of Physical Chemistry A, 123( 5), 1022-1029. doi:10.1021/acs.jpca.8b09979
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      Fernandes AS, Maitre P, Correra TC. Evaluation of the katsuki-sharpless epoxidation precatalysts by ESI-FTMS, CID, and IRMPD spectroscopy [Internet]. Journal of Physical Chemistry A. 2019 ; 123( 5): 1022-1029.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.8b09979
    • Vancouver

      Fernandes AS, Maitre P, Correra TC. Evaluation of the katsuki-sharpless epoxidation precatalysts by ESI-FTMS, CID, and IRMPD spectroscopy [Internet]. Journal of Physical Chemistry A. 2019 ; 123( 5): 1022-1029.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.8b09979
  • Source: Journal of Physical Chemistry A. Unidade: IQ

    Subjects: HIDROGÊNIO, SOLVENTE

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      BATISTA, Patrick Rodrigues et al. Dealing with hydrogen bonding on the conformational preference of 1,3-Aminopropanols: experimental and molecular dynamics approaches. Journal of Physical Chemistry A, v. 123, p. 8583-8594, 2019Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.9b05619. Acesso em: 15 jun. 2024.
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      Batista, P. R., Karas, L. J., Viesser, R. V., Oliveira, C. C. de, Gonçalves, M. B., Tormena, C. F., et al. (2019). Dealing with hydrogen bonding on the conformational preference of 1,3-Aminopropanols: experimental and molecular dynamics approaches. Journal of Physical Chemistry A, 123, 8583-8594. doi:10.1021/acs.jpca.9b05619
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      Batista PR, Karas LJ, Viesser RV, Oliveira CC de, Gonçalves MB, Tormena CF, Rittner R, Ducati LC, Oliveira PR de. Dealing with hydrogen bonding on the conformational preference of 1,3-Aminopropanols: experimental and molecular dynamics approaches [Internet]. Journal of Physical Chemistry A. 2019 ; 123 8583-8594.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.9b05619
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      Batista PR, Karas LJ, Viesser RV, Oliveira CC de, Gonçalves MB, Tormena CF, Rittner R, Ducati LC, Oliveira PR de. Dealing with hydrogen bonding on the conformational preference of 1,3-Aminopropanols: experimental and molecular dynamics approaches [Internet]. Journal of Physical Chemistry A. 2019 ; 123 8583-8594.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.9b05619
  • Source: Journal of Physical Chemistry A. Unidade: IQ

    Subjects: RÊNIO, RESSONÂNCIA MAGNÉTICA NUCLEAR

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      AMARAL, Ronaldo C et al. Photoreversible molecular motion of stpyCN coordinated to fac-[RE'(CO) IND. 3'(NN)]+ complexes. Journal of Physical Chemistry A, v. 122, p. 6071-6080, 2018Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.8b02630. Acesso em: 15 jun. 2024.
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      Amaral, R. C., Matos, L. S., Zanoni, K. P. S., & Iha, N. Y. M. (2018). Photoreversible molecular motion of stpyCN coordinated to fac-[RE'(CO) IND. 3'(NN)]+ complexes. Journal of Physical Chemistry A, 122, 6071-6080. doi:10.1021/acs.jpca.8b02630
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      Amaral RC, Matos LS, Zanoni KPS, Iha NYM. Photoreversible molecular motion of stpyCN coordinated to fac-[RE'(CO) IND. 3'(NN)]+ complexes [Internet]. Journal of Physical Chemistry A. 2018 ; 122 6071-6080.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.8b02630
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      Amaral RC, Matos LS, Zanoni KPS, Iha NYM. Photoreversible molecular motion of stpyCN coordinated to fac-[RE'(CO) IND. 3'(NN)]+ complexes [Internet]. Journal of Physical Chemistry A. 2018 ; 122 6071-6080.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.8b02630
  • Source: Journal of Physical Chemistry A. Unidade: IQ

    Subjects: QUÍMICA ORGÂNICA, FOTOQUÍMICA ORGÂNICA

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      FARAHANI, Pooria e BAADER, Wilhelm Josef. Unimolecular decomposition mechanism of 1,2-Dioxetanedione: concerted or Biradical? that is the question!. Journal of Physical Chemistry A, v. 121, p. 1189-1194, 2017Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.6b10365. Acesso em: 15 jun. 2024.
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      Farahani, P., & Baader, W. J. (2017). Unimolecular decomposition mechanism of 1,2-Dioxetanedione: concerted or Biradical? that is the question!. Journal of Physical Chemistry A, 121, 1189-1194. doi:10.1021/acs.jpca.6b10365
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      Farahani P, Baader WJ. Unimolecular decomposition mechanism of 1,2-Dioxetanedione: concerted or Biradical? that is the question! [Internet]. Journal of Physical Chemistry A. 2017 ; 121 1189-1194.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.6b10365
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      Farahani P, Baader WJ. Unimolecular decomposition mechanism of 1,2-Dioxetanedione: concerted or Biradical? that is the question! [Internet]. Journal of Physical Chemistry A. 2017 ; 121 1189-1194.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.6b10365
  • Source: Journal of Physical Chemistry A. Unidade: IF

    Subjects: ELETROSTÁTICA, SILÍCIO

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      CABRAL, Benedito J. Costa e COUTINHO, Kalline Rabelo e CANUTO, Sylvio Roberto Accioly. A first-principles approach to the dynamics and electronic properties of p-nitroaniline in water. Journal of Physical Chemistry A, v. 120, n. ju2016, p. 3878-3887, 2016Tradução . . Disponível em: http://pubs.acs.org/doi/abs/10.1021/acs.jpca.6b01797. Acesso em: 15 jun. 2024.
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      Cabral, B. J. C., Coutinho, K. R., & Canuto, S. R. A. (2016). A first-principles approach to the dynamics and electronic properties of p-nitroaniline in water. Journal of Physical Chemistry A, 120( ju2016), 3878-3887. doi:10.1021/acs.jpca.6b01797
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      Cabral BJC, Coutinho KR, Canuto SRA. A first-principles approach to the dynamics and electronic properties of p-nitroaniline in water [Internet]. Journal of Physical Chemistry A. 2016 ; 120( ju2016): 3878-3887.[citado 2024 jun. 15 ] Available from: http://pubs.acs.org/doi/abs/10.1021/acs.jpca.6b01797
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      Cabral BJC, Coutinho KR, Canuto SRA. A first-principles approach to the dynamics and electronic properties of p-nitroaniline in water [Internet]. Journal of Physical Chemistry A. 2016 ; 120( ju2016): 3878-3887.[citado 2024 jun. 15 ] Available from: http://pubs.acs.org/doi/abs/10.1021/acs.jpca.6b01797
  • Source: Journal of Physical Chemistry A. Unidade: IQSC

    Subjects: QUÍMICA TEÓRICA, MOLÉCULA

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      TERRABUIO, Luiz Alberto et al. Nonnuclear attractors in heteronuclear diatomic systems. Journal of Physical Chemistry A, v. 120, p. 1168-1174, 2016Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.5b10888. Acesso em: 15 jun. 2024.
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      Terrabuio, L. A., Teodoro, T. Q., Matta, C. F., & Haiduke, R. L. A. (2016). Nonnuclear attractors in heteronuclear diatomic systems. Journal of Physical Chemistry A, 120, 1168-1174. doi:10.1021/acs.jpca.5b10888
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      Terrabuio LA, Teodoro TQ, Matta CF, Haiduke RLA. Nonnuclear attractors in heteronuclear diatomic systems [Internet]. Journal of Physical Chemistry A. 2016 ; 120 1168-1174.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.5b10888
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      Terrabuio LA, Teodoro TQ, Matta CF, Haiduke RLA. Nonnuclear attractors in heteronuclear diatomic systems [Internet]. Journal of Physical Chemistry A. 2016 ; 120 1168-1174.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1021/acs.jpca.5b10888

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