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  • 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: 29 mar. 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
    • NLM

      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 mar. 29 ] 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 mar. 29 ] 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: 29 mar. 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 mar. 29 ] 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 mar. 29 ] 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: 29 mar. 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 mar. 29 ] 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 mar. 29 ] 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: 29 mar. 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
    • NLM

      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 mar. 29 ] 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 mar. 29 ] 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: 29 mar. 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 mar. 29 ] 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 mar. 29 ] 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: 29 mar. 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 mar. 29 ] 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 mar. 29 ] 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: 29 mar. 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 mar. 29 ] 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 mar. 29 ] 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: 29 mar. 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
    • NLM

      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 mar. 29 ] 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 mar. 29 ] Available from: https://doi.org/10.1021/acs.jpca.0c03398
  • 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: 29 mar. 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 mar. 29 ] 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 mar. 29 ] Available from: https://doi.org/10.1021/acs.jpca.0c04142
  • 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: 29 mar. 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 mar. 29 ] 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 mar. 29 ] Available from: https://doi.org/10.1021/acs.jpca.0c07845
  • 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: 29 mar. 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 mar. 29 ] 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 mar. 29 ] Available from: https://doi.org/10.1021/acs.jpca.0c05969
  • 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: 29 mar. 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 mar. 29 ] 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 mar. 29 ] 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: 29 mar. 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
    • NLM

      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 mar. 29 ] 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 mar. 29 ] 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: 29 mar. 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 mar. 29 ] 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 mar. 29 ] 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: 29 mar. 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
    • NLM

      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 mar. 29 ] Available from: https://doi.org/10.1021/acs.jpca.9b05619
    • Vancouver

      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 mar. 29 ] 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: 29 mar. 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 mar. 29 ] 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 mar. 29 ] 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: 29 mar. 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 mar. 29 ] 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 mar. 29 ] 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: 29 mar. 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 mar. 29 ] 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 mar. 29 ] 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: 29 mar. 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 mar. 29 ] 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 mar. 29 ] Available from: https://doi.org/10.1021/acs.jpca.5b10888
  • Source: Journal of Physical Chemistry A. Unidade: IQ

    Subjects: TERMOQUÍMICA, FÍSICO-QUÍMICA

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      CORRERA, Thiago Carita e FERNANDES, André Santos e RIVEROS, José Manuel. Dynamic/thermochemical balance drives unusual Alkyl/F exchange reactions in siloxides and analogs. Journal of Physical Chemistry A, v. 120, n. 10, p. 1644–1651, 2016Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.6b00390. Acesso em: 29 mar. 2024.
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      Correra, T. C., Fernandes, A. S., & Riveros, J. M. (2016). Dynamic/thermochemical balance drives unusual Alkyl/F exchange reactions in siloxides and analogs. Journal of Physical Chemistry A, 120( 10), 1644–1651. doi:10.1021/acs.jpca.6b00390
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      Correra TC, Fernandes AS, Riveros JM. Dynamic/thermochemical balance drives unusual Alkyl/F exchange reactions in siloxides and analogs [Internet]. Journal of Physical Chemistry A. 2016 ; 120( 10): 1644–1651.[citado 2024 mar. 29 ] Available from: https://doi.org/10.1021/acs.jpca.6b00390
    • Vancouver

      Correra TC, Fernandes AS, Riveros JM. Dynamic/thermochemical balance drives unusual Alkyl/F exchange reactions in siloxides and analogs [Internet]. Journal of Physical Chemistry A. 2016 ; 120( 10): 1644–1651.[citado 2024 mar. 29 ] Available from: https://doi.org/10.1021/acs.jpca.6b00390

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