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Artigo de periodico
Elucidating the conformational change and electronic absorption spectrum of p-dimethylamino-cinnamaldehyde merocyanine across different solvent polarities (2023)
Franco, Leandro ; Fonseca, Tertius ; Coutinho, Kaline ; Georg, Herbert C.
Source: The Journal of Chemical Physics. Unidade: IF
Subjects: FÍSICA MOLECULAR, FÍSICO-QUÍMICA, MÉTODO DE MONTE CARLO, MECÂNICA QUÂNTICA, ESPECTROSCOPIA DE ABSORÇÃO ATÔMICA, CORANTES FLUORESCENTES, SOLVENTE
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ABNT
FRANCO, Leandro et al. Elucidating the conformational change and electronic absorption spectrum of p-dimethylamino-cinnamaldehyde merocyanine across different solvent polarities. The Journal of Chemical Physics, v. 159, n. 7, 2023Tradução . . Disponível em: https://doi.org/10.1063/5.0158994. Acesso em: 30 abr. 2024.
APA
Franco, L., Fonseca, T., Coutinho, K., & Georg, H. C. (2023). Elucidating the conformational change and electronic absorption spectrum of p-dimethylamino-cinnamaldehyde merocyanine across different solvent polarities. The Journal of Chemical Physics, 159( 7). doi:10.1063/5.0158994
NLM
Franco L, Fonseca T, Coutinho K, Georg HC. Elucidating the conformational change and electronic absorption spectrum of p-dimethylamino-cinnamaldehyde merocyanine across different solvent polarities [Internet]. The Journal of Chemical Physics. 2023 ; 159( 7):[citado 2024 abr. 30 ] Available from: https://doi.org/10.1063/5.0158994
Vancouver
Franco L, Fonseca T, Coutinho K, Georg HC. Elucidating the conformational change and electronic absorption spectrum of p-dimethylamino-cinnamaldehyde merocyanine across different solvent polarities [Internet]. The Journal of Chemical Physics. 2023 ; 159( 7):[citado 2024 abr. 30 ] Available from: https://doi.org/10.1063/5.0158994
Artigo de periodico
Free-Energy Landscape of the S(N)2 Reaction CH3Br + Cl- ? CH3Cl + Br- in Different Liquid Environments (2022)
Valverde, Danillo ; Georg, Herbert C.; Canuto, Sylvio Roberto Accioly
Source: Journal of Physical Chemistry B. Unidades: IF, IQ
Subjects: FÍSICO-QUÍMICA, DINÂMICA DOS GASES, SOLVENTE
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ABNT
VALVERDE, Danillo e GEORG, Herbert C. e CANUTO, Sylvio Roberto Accioly. Free-Energy Landscape of the S(N)2 Reaction CH3Br + Cl- ? CH3Cl + Br- in Different Liquid Environments. Journal of Physical Chemistry B, v. 126, n. 20, p. 3685-3692, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcb.1c10282. Acesso em: 30 abr. 2024.
APA
Valverde, D., Georg, H. C., & Canuto, S. R. A. (2022). Free-Energy Landscape of the S(N)2 Reaction CH3Br + Cl- ? CH3Cl + Br- in Different Liquid Environments. Journal of Physical Chemistry B, 126( 20), 3685-3692. doi:10.1021/acs.jpcb.1c10282
NLM
Valverde D, Georg HC, Canuto SRA. Free-Energy Landscape of the S(N)2 Reaction CH3Br + Cl- ? CH3Cl + Br- in Different Liquid Environments [Internet]. Journal of Physical Chemistry B. 2022 ; 126( 20): 3685-3692.[citado 2024 abr. 30 ] Available from: https://doi.org/10.1021/acs.jpcb.1c10282
Vancouver
Valverde D, Georg HC, Canuto SRA. Free-Energy Landscape of the S(N)2 Reaction CH3Br + Cl- ? CH3Cl + Br- in Different Liquid Environments [Internet]. Journal of Physical Chemistry B. 2022 ; 126( 20): 3685-3692.[citado 2024 abr. 30 ] Available from: https://doi.org/10.1021/acs.jpcb.1c10282
Artigo de periodico
Applicability of DFT functionals for evaluating the first hyperpolarizability of phenol blue in solution (2021)
Brandao, Idney ; Fonseca, Tertius ; Franco, Leandro ; Georg, Herbert C. ; Castro, Marcos
Source: Journal of Chemical Physics. Unidade: IF
Subjects: FÍSICO-QUÍMICA, SOLVENTE, MECÂNICA QUÂNTICA
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ABNT
BRANDAO, Idney et al. Applicability of DFT functionals for evaluating the first hyperpolarizability of phenol blue in solution. Journal of Chemical Physics, v. 154, n. 9, 2021Tradução . . Disponível em: https://doi.org/10.1063/5.0033134. Acesso em: 30 abr. 2024.
APA
Brandao, I., Fonseca, T., Franco, L., Georg, H. C., & Castro, M. (2021). Applicability of DFT functionals for evaluating the first hyperpolarizability of phenol blue in solution. Journal of Chemical Physics, 154( 9). doi:10.1063/5.0033134
NLM
Brandao I, Fonseca T, Franco L, Georg HC, Castro M. Applicability of DFT functionals for evaluating the first hyperpolarizability of phenol blue in solution [Internet]. Journal of Chemical Physics. 2021 ; 154( 9):[citado 2024 abr. 30 ] Available from: https://doi.org/10.1063/5.0033134
Vancouver
Brandao I, Fonseca T, Franco L, Georg HC, Castro M. Applicability of DFT functionals for evaluating the first hyperpolarizability of phenol blue in solution [Internet]. Journal of Chemical Physics. 2021 ; 154( 9):[citado 2024 abr. 30 ] Available from: https://doi.org/10.1063/5.0033134
Artigo de periodico
Monte carlo–quantum mechanics study of magnetic properties of hydrogen peroxide in liquid water (2014)
Cristina Caputo, Maria; Provasi, Patricio F; Benitez, Lucia; Georg, Herbert C.; Coutinho, Kaline Rabelo ; Canuto, Sylvio Roberto Accioly
Source: JOURNAL OF PHYSICAL CHEMISTRY A. Unidade: IF
Subjects: SPIN, MÉTODO DE MONTE CARLO
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ABNT
CRISTINA CAPUTO, Maria et al. Monte carlo–quantum mechanics study of magnetic properties of hydrogen peroxide in liquid water. JOURNAL OF PHYSICAL CHEMISTRY A, v. 118, n. 32, p. 6239-6247, 2014Tradução . . Disponível em: https://doi.org/10.1021/jp411303n. Acesso em: 30 abr. 2024.
APA
Cristina Caputo, M., Provasi, P. F., Benitez, L., Georg, H. C., Coutinho, K. R., & Canuto, S. R. A. (2014). Monte carlo–quantum mechanics study of magnetic properties of hydrogen peroxide in liquid water. JOURNAL OF PHYSICAL CHEMISTRY A, 118( 32), 6239-6247. doi:10.1021/jp411303n
NLM
Cristina Caputo M, Provasi PF, Benitez L, Georg HC, Coutinho KR, Canuto SRA. Monte carlo–quantum mechanics study of magnetic properties of hydrogen peroxide in liquid water [Internet]. JOURNAL OF PHYSICAL CHEMISTRY A. 2014 ; 118( 32): 6239-6247.[citado 2024 abr. 30 ] Available from: https://doi.org/10.1021/jp411303n
Vancouver
Cristina Caputo M, Provasi PF, Benitez L, Georg HC, Coutinho KR, Canuto SRA. Monte carlo–quantum mechanics study of magnetic properties of hydrogen peroxide in liquid water [Internet]. JOURNAL OF PHYSICAL CHEMISTRY A. 2014 ; 118( 32): 6239-6247.[citado 2024 abr. 30 ] Available from: https://doi.org/10.1021/jp411303n
Artigo de periodico
Combining ab initio multiconfigurational and free energy gradient methods to study the 'pi'–'pi' POT. *' excited state structure and properties of uracil in water (2014)
Bistafa, Carlos; Georg, Herbert C.; Canuto, Sylvio Roberto Accioly
Source: COMPUTATIONAL AND THEORETICAL CHEMISTRY. Unidade: IF
Subjects: FLUORESCÊNCIA, ELETROSTÁTICA
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ABNT
BISTAFA, Carlos e GEORG, Herbert C. e CANUTO, Sylvio Roberto Accioly. Combining ab initio multiconfigurational and free energy gradient methods to study the 'pi'–'pi' POT. *' excited state structure and properties of uracil in water. COMPUTATIONAL AND THEORETICAL CHEMISTRY, v. 1040, p. 312-320, 2014Tradução . . Disponível em: https://doi.org/10.1016/j.comptc.2014.04.024. Acesso em: 30 abr. 2024.
APA
Bistafa, C., Georg, H. C., & Canuto, S. R. A. (2014). Combining ab initio multiconfigurational and free energy gradient methods to study the 'pi'–'pi' POT. *' excited state structure and properties of uracil in water. COMPUTATIONAL AND THEORETICAL CHEMISTRY, 1040, 312-320. doi:10.1016/j.comptc.2014.04.024
NLM
Bistafa C, Georg HC, Canuto SRA. Combining ab initio multiconfigurational and free energy gradient methods to study the 'pi'–'pi' POT. *' excited state structure and properties of uracil in water [Internet]. COMPUTATIONAL AND THEORETICAL CHEMISTRY. 2014 ; 1040 312-320.[citado 2024 abr. 30 ] Available from: https://doi.org/10.1016/j.comptc.2014.04.024
Vancouver
Bistafa C, Georg HC, Canuto SRA. Combining ab initio multiconfigurational and free energy gradient methods to study the 'pi'–'pi' POT. *' excited state structure and properties of uracil in water [Internet]. COMPUTATIONAL AND THEORETICAL CHEMISTRY. 2014 ; 1040 312-320.[citado 2024 abr. 30 ] Available from: https://doi.org/10.1016/j.comptc.2014.04.024
Trabalho de evento-resumo
Combining ab initio multiconØgurational calculations and the Free energy gradient method to obtain the excited state structure of uracil in solution (2014)
Bistafa, Carlos; Georg, Herbert C.; Canuto, Sylvio Roberto Accioly
Source: SBF. Conference titles: Encontro Nacional de Física da Matéria Condensada. Unidade: IF
Subjects: MATÉRIA CONDENSADA, MÉTODO DE MONTE CARLO
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ABNT
BISTAFA, Carlos e GEORG, Herbert C. e CANUTO, Sylvio Roberto Accioly. Combining ab initio multiconØgurational calculations and the Free energy gradient method to obtain the excited state structure of uracil in solution. 2014, Anais.. São Paulo: Instituto de Física, Universidade de São Paulo, 2014. Disponível em: http://www.sbf1.sbfisica.org.br/eventos/enfmc/xxxvii/sys/resumos/R0692-1.pdf. Acesso em: 30 abr. 2024.
APA
Bistafa, C., Georg, H. C., & Canuto, S. R. A. (2014). Combining ab initio multiconØgurational calculations and the Free energy gradient method to obtain the excited state structure of uracil in solution. In SBF. São Paulo: Instituto de Física, Universidade de São Paulo. Recuperado de http://www.sbf1.sbfisica.org.br/eventos/enfmc/xxxvii/sys/resumos/R0692-1.pdf
NLM
Bistafa C, Georg HC, Canuto SRA. Combining ab initio multiconØgurational calculations and the Free energy gradient method to obtain the excited state structure of uracil in solution [Internet]. SBF. 2014 ;[citado 2024 abr. 30 ] Available from: http://www.sbf1.sbfisica.org.br/eventos/enfmc/xxxvii/sys/resumos/R0692-1.pdf
Vancouver
Bistafa C, Georg HC, Canuto SRA. Combining ab initio multiconØgurational calculations and the Free energy gradient method to obtain the excited state structure of uracil in solution [Internet]. SBF. 2014 ;[citado 2024 abr. 30 ] Available from: http://www.sbf1.sbfisica.org.br/eventos/enfmc/xxxvii/sys/resumos/R0692-1.pdf
Artigo de periodico
Theoretically describing the 'ANTPOT. 17 'O' magnetic shielding constant of biomolecular systems: uracil and 5-fluorouracil in water environment (2013)
Gester, Rodrigo M ; Georg, Herbert C.; Bistafa, Carlos ; Coutinho, Kaline Rabelo ; Canuto, Sylvio Roberto Accioly
Source: THEORETICAL CHEMISTRY ACCOUNTS. Unidade: IF
Subjects: ESTADO SÓLIDO, CAMPO MAGNÉTICO
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ABNT
GESTER, Rodrigo M et al. Theoretically describing the 'ANTPOT. 17 'O' magnetic shielding constant of biomolecular systems: uracil and 5-fluorouracil in water environment. THEORETICAL CHEMISTRY ACCOUNTS, v. no2013, n. 1, p. UNSP 1424, 2013Tradução . . Disponível em: https://doi.org/10.1007/s00214-013-1424-y. Acesso em: 30 abr. 2024.
APA
Gester, R. M., Georg, H. C., Bistafa, C., Coutinho, K. R., & Canuto, S. R. A. (2013). Theoretically describing the 'ANTPOT. 17 'O' magnetic shielding constant of biomolecular systems: uracil and 5-fluorouracil in water environment. THEORETICAL CHEMISTRY ACCOUNTS, no2013( 1), UNSP 1424. doi:10.1007/s00214-013-1424-y
NLM
Gester RM, Georg HC, Bistafa C, Coutinho KR, Canuto SRA. Theoretically describing the 'ANTPOT. 17 'O' magnetic shielding constant of biomolecular systems: uracil and 5-fluorouracil in water environment [Internet]. THEORETICAL CHEMISTRY ACCOUNTS. 2013 ; no2013( 1): UNSP 1424.[citado 2024 abr. 30 ] Available from: https://doi.org/10.1007/s00214-013-1424-y
Vancouver
Gester RM, Georg HC, Bistafa C, Coutinho KR, Canuto SRA. Theoretically describing the 'ANTPOT. 17 'O' magnetic shielding constant of biomolecular systems: uracil and 5-fluorouracil in water environment [Internet]. THEORETICAL CHEMISTRY ACCOUNTS. 2013 ; no2013( 1): UNSP 1424.[citado 2024 abr. 30 ] Available from: https://doi.org/10.1007/s00214-013-1424-y

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