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Artigo de periodico
New approach to instantaneous polarizable electrostatic embedding of the solvent (2023)
Kiataki, M. B. ; Varella, Marcio ; Coutinho, Kaline
Source: Journal of Molecular Liquids. Unidade: IF
Subjects: FÍSICA MOLECULAR, FÍSICO-QUÍMICA, MECÂNICA QUÂNTICA, MÉTODO DE MONTE CARLO, SOLVENTE, ELETROSTÁTICA
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KIATAKI, M. B. e VARELLA, Marcio e COUTINHO, Kaline. New approach to instantaneous polarizable electrostatic embedding of the solvent. Journal of Molecular Liquids, v. 389, p. 9 , 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molliq.2023.122861. Acesso em: 18 ago. 2024.
APA
Kiataki, M. B., Varella, M., & Coutinho, K. (2023). New approach to instantaneous polarizable electrostatic embedding of the solvent. Journal of Molecular Liquids, 389, 9 . doi:10.1016/j.molliq.2023.122861
NLM
Kiataki MB, Varella M, Coutinho K. New approach to instantaneous polarizable electrostatic embedding of the solvent [Internet]. Journal of Molecular Liquids. 2023 ; 389 9 .[citado 2024 ago. 18 ] Available from: https://doi.org/10.1016/j.molliq.2023.122861
Vancouver
Kiataki MB, Varella M, Coutinho K. New approach to instantaneous polarizable electrostatic embedding of the solvent [Internet]. Journal of Molecular Liquids. 2023 ; 389 9 .[citado 2024 ago. 18 ] Available from: https://doi.org/10.1016/j.molliq.2023.122861
Artigo de periodico
Theoretical investigation of solvent and oxidation/deprotonation effects on the electronic structure of a mononuclear Ru-aqua-polypyridine complex in aqueous solution (2023)
Franco, Leandro ; Toledo, Kalil Cristhian Figueiredo ; Matias, Tiago Araujo; Araujo, Moyses ; Araki, Koiti ; Coutinho, Kaline
Source: Physical Chemistry Chemical Physics. Unidades: IF, IQ
Subjects: FÍSICO-QUÍMICA, FÍSICA MOLECULAR, MÉTODO DE MONTE CARLO, RUTÊNIO, MECÂNICA QUÂNTICA, SOLVENTE
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FRANCO, Leandro et al. Theoretical investigation of solvent and oxidation/deprotonation effects on the electronic structure of a mononuclear Ru-aqua-polypyridine complex in aqueous solution. Physical Chemistry Chemical Physics, v. 25, p. 24475–24494, 2023Tradução . . Disponível em: https://doi.org/10.1039/D3CP02154H. Acesso em: 18 ago. 2024.
APA
Franco, L., Toledo, K. C. F., Matias, T. A., Araujo, M., Araki, K., & Coutinho, K. (2023). Theoretical investigation of solvent and oxidation/deprotonation effects on the electronic structure of a mononuclear Ru-aqua-polypyridine complex in aqueous solution. Physical Chemistry Chemical Physics, 25, 24475–24494. doi:10.1039/D3CP02154H
NLM
Franco L, Toledo KCF, Matias TA, Araujo M, Araki K, Coutinho K. Theoretical investigation of solvent and oxidation/deprotonation effects on the electronic structure of a mononuclear Ru-aqua-polypyridine complex in aqueous solution [Internet]. Physical Chemistry Chemical Physics. 2023 ; 25 24475–24494.[citado 2024 ago. 18 ] Available from: https://doi.org/10.1039/D3CP02154H
Vancouver
Franco L, Toledo KCF, Matias TA, Araujo M, Araki K, Coutinho K. Theoretical investigation of solvent and oxidation/deprotonation effects on the electronic structure of a mononuclear Ru-aqua-polypyridine complex in aqueous solution [Internet]. Physical Chemistry Chemical Physics. 2023 ; 25 24475–24494.[citado 2024 ago. 18 ] Available from: https://doi.org/10.1039/D3CP02154H
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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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: 18 ago. 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 ago. 18 ] 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 ago. 18 ] Available from: https://doi.org/10.1063/5.0158994
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: 18 ago. 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 ago. 18 ] 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 ago. 18 ] 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: 18 ago. 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 ago. 18 ] 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 ago. 18 ] Available from: https://doi.org/10.1063/5.0152308
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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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: 18 ago. 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 ago. 18 ] 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 ago. 18 ] Available from: https://doi.org/10.1021/acs.jpcb.1c10282
Artigo de periodico
Unraveling the acid–base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligand (2022)
Franco, Leandro Rezende ; Toledo, Kalil Cristhian Figueiredo ; Matias, Tiago Araujo; Benavides, Paola Andrea ; Cezar, Henrique ; Araujo, Moyses ; Coutinho, Kaline Rabelo ; Araki, Koiti
Source: Physical Chemistry Chemical Physics. Unidades: IF, IQ
Subjects: FÍSICA MOLECULAR, FÍSICO-QUÍMICA, SOLVENTE, MECÂNICA QUÂNTICA, MÉTODO DE MONTE CARLO
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FRANCO, Leandro Rezende et al. Unraveling the acid–base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligand. Physical Chemistry Chemical Physics, v. 24, n. 17, p. 10222-10240, 2022Tradução . . Disponível em: https://doi.org/10.1039/D1CP03912A. Acesso em: 18 ago. 2024.
APA
Franco, L. R., Toledo, K. C. F., Matias, T. A., Benavides, P. A., Cezar, H., Araujo, M., et al. (2022). Unraveling the acid–base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligand. Physical Chemistry Chemical Physics, 24( 17), 10222-10240. doi:10.1039/D1CP03912A
NLM
Franco LR, Toledo KCF, Matias TA, Benavides PA, Cezar H, Araujo M, Coutinho KR, Araki K. Unraveling the acid–base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligand [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24( 17): 10222-10240.[citado 2024 ago. 18 ] Available from: https://doi.org/10.1039/D1CP03912A
Vancouver
Franco LR, Toledo KCF, Matias TA, Benavides PA, Cezar H, Araujo M, Coutinho KR, Araki K. Unraveling the acid–base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligand [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24( 17): 10222-10240.[citado 2024 ago. 18 ] Available from: https://doi.org/10.1039/D1CP03912A
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: 18 ago. 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 ago. 18 ] 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 ago. 18 ] 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: 18 ago. 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 ago. 18 ] 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 ago. 18 ] Available from: https://doi.org/10.1016/j.molliq.2019.112405
Artigo de periodico
Cubic-to-inverted micellar and the cubic-to-hexagonal-to-micellar transitions on phytantriol-based cubosomes induced by solvents (2020)
Lotierzo, Mayra Cristina Gomes ; Casadei, Bruna Renata ; Castro, Raphael Dias de ; Malheiros, Barbara ; Barbosa, L. R. S.
Source: Drug Delivery and Translational Research. Unidades: IF, FCF
Subjects: BIOFÍSICA, ESPALHAMENTO DE RAIOS X A BAIXOS ÂNGULOS, NANOPARTÍCULAS, MOLÉCULA, SOLVENTE, MICROSCOPIA ELETRÔNICA, DIAGRAMA DE TRANSFORMAÇÃO DE FASE
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LOTIERZO, Mayra Cristina Gomes et al. Cubic-to-inverted micellar and the cubic-to-hexagonal-to-micellar transitions on phytantriol-based cubosomes induced by solvents. Drug Delivery and Translational Research, p. 13 ; agosto, 2020Tradução . . Disponível em: https://doi.org/10.1007/s13346-020-00828-y. Acesso em: 18 ago. 2024.
APA
Lotierzo, M. C. G., Casadei, B. R., Castro, R. D. de, Malheiros, B., & Barbosa, L. R. S. (2020). Cubic-to-inverted micellar and the cubic-to-hexagonal-to-micellar transitions on phytantriol-based cubosomes induced by solvents. Drug Delivery and Translational Research, 13 ; agosto. doi:10.1007/s13346-020-00828-y
NLM
Lotierzo MCG, Casadei BR, Castro RD de, Malheiros B, Barbosa LRS. Cubic-to-inverted micellar and the cubic-to-hexagonal-to-micellar transitions on phytantriol-based cubosomes induced by solvents [Internet]. Drug Delivery and Translational Research. 2020 ;13 ; agosto.[citado 2024 ago. 18 ] Available from: https://doi.org/10.1007/s13346-020-00828-y
Vancouver
Lotierzo MCG, Casadei BR, Castro RD de, Malheiros B, Barbosa LRS. Cubic-to-inverted micellar and the cubic-to-hexagonal-to-micellar transitions on phytantriol-based cubosomes induced by solvents [Internet]. Drug Delivery and Translational Research. 2020 ;13 ; agosto.[citado 2024 ago. 18 ] Available from: https://doi.org/10.1007/s13346-020-00828-y
Artigo de periodico
Solvent effects on the π∗ shape resonances of uracil (2020)
Cornetta, L. M. ; Coutinhho, K. ; Varella, M. T. do N.
Source: The Journal of Chemical Physics. Unidade: IF
Subjects: FÍSICO-QUÍMICA, SOLVENTE, MODELAGEM MOLECULAR, ESPECTROSCOPIA ATÔMICA, COLISÕES DE ÍONS PESADOS RELATIVÍSTICOS, ESPALHAMENTO, RADIAÇÃO IONIZANTE, ELÉTRONS, FLUÍDOS COMPLEXOS
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CORNETTA, L. M. e COUTINHHO, K. e VARELLA, M. T. do N. Solvent effects on the π∗ shape resonances of uracil. The Journal of Chemical Physics, v. 152, 2020Tradução . . Disponível em: https://doi.org/10.1063/1.5139459. Acesso em: 18 ago. 2024.
APA
Cornetta, L. M., Coutinhho, K., & Varella, M. T. do N. (2020). Solvent effects on the π∗ shape resonances of uracil. The Journal of Chemical Physics, 152. doi:10.1063/1.5139459
NLM
Cornetta LM, Coutinhho K, Varella MT do N. Solvent effects on the π∗ shape resonances of uracil [Internet]. The Journal of Chemical Physics. 2020 ; 152[citado 2024 ago. 18 ] Available from: https://doi.org/10.1063/1.5139459
Vancouver
Cornetta LM, Coutinhho K, Varella MT do N. Solvent effects on the π∗ shape resonances of uracil [Internet]. The Journal of Chemical Physics. 2020 ; 152[citado 2024 ago. 18 ] Available from: https://doi.org/10.1063/1.5139459
Artigo de periodico
Computational prediction of 1 H and 13 C NMR chemical shifts for protonated alkylpyrroles: electron correlation and not solvation is the salvation (2019)
Lacerda Jr., Evanildo G. ; Kamounah, Fadhil S.; Coutinho, Kaline ; Sauer, Stephan P. A.; Hansen, Poul Erik; Hammerich, Ole
Source: ChemPhysChem. Unidade: IF
Subjects: SOLVENTE, MECÂNICA QUÂNTICA, QUÍMICA TEÓRICA
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LACERDA JR., Evanildo G. et al. Computational prediction of 1 H and 13 C NMR chemical shifts for protonated alkylpyrroles: electron correlation and not solvation is the salvation. ChemPhysChem, v. 20, n. 1, p. 78-91, 2019Tradução . . Disponível em: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/cphc.201801066. Acesso em: 18 ago. 2024.
APA
Lacerda Jr., E. G., Kamounah, F. S., Coutinho, K., Sauer, S. P. A., Hansen, P. E., & Hammerich, O. (2019). Computational prediction of 1 H and 13 C NMR chemical shifts for protonated alkylpyrroles: electron correlation and not solvation is the salvation. ChemPhysChem, 20( 1), 78-91. doi:10.1002/cphc.201801066
NLM
Lacerda Jr. EG, Kamounah FS, Coutinho K, Sauer SPA, Hansen PE, Hammerich O. Computational prediction of 1 H and 13 C NMR chemical shifts for protonated alkylpyrroles: electron correlation and not solvation is the salvation [Internet]. ChemPhysChem. 2019 ; 20( 1): 78-91.[citado 2024 ago. 18 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/cphc.201801066
Vancouver
Lacerda Jr. EG, Kamounah FS, Coutinho K, Sauer SPA, Hansen PE, Hammerich O. Computational prediction of 1 H and 13 C NMR chemical shifts for protonated alkylpyrroles: electron correlation and not solvation is the salvation [Internet]. ChemPhysChem. 2019 ; 20( 1): 78-91.[citado 2024 ago. 18 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/cphc.201801066
Artigo de periodico
On the calculation of magnetic properties of nucleic acids in liquid water with the sequential QM/MM method (2019)
Colherinhas, Guilherme ; Oliveira, Leonardo Bruno Assis ; Castro, Marcos A.; Fonseca, Tertius L.; Coutinho, Kaline Rabelo ; Canuto, Sylvio Roberto Accioly
Source: Journal of Molecular Liquids. Unidade: IF
Subjects: FÍSICO-QUÍMICA, SOLVENTE, MODELAGEM MOLECULAR, FLUÍDOS COMPLEXOS, MAGNETOHIDRODINÂMICA
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COLHERINHAS, Guilherme et al. On the calculation of magnetic properties of nucleic acids in liquid water with the sequential QM/MM method. Journal of Molecular Liquids, v. 294, n. 15, 2019Tradução . . Disponível em: https://doi.org/10.1016/j.molliq.2019.111611. Acesso em: 18 ago. 2024.
APA
Colherinhas, G., Oliveira, L. B. A., Castro, M. A., Fonseca, T. L., Coutinho, K. R., & Canuto, S. R. A. (2019). On the calculation of magnetic properties of nucleic acids in liquid water with the sequential QM/MM method. Journal of Molecular Liquids, 294( 15). doi:10.1016/j.molliq.2019.111611
NLM
Colherinhas G, Oliveira LBA, Castro MA, Fonseca TL, Coutinho KR, Canuto SRA. On the calculation of magnetic properties of nucleic acids in liquid water with the sequential QM/MM method [Internet]. Journal of Molecular Liquids. 2019 ;294( 15):[citado 2024 ago. 18 ] Available from: https://doi.org/10.1016/j.molliq.2019.111611
Vancouver
Colherinhas G, Oliveira LBA, Castro MA, Fonseca TL, Coutinho KR, Canuto SRA. On the calculation of magnetic properties of nucleic acids in liquid water with the sequential QM/MM method [Internet]. Journal of Molecular Liquids. 2019 ;294( 15):[citado 2024 ago. 18 ] Available from: https://doi.org/10.1016/j.molliq.2019.111611
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: 18 ago. 2024.
APA
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 ago. 18 ] 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 ago. 18 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/cptc.201900072
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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
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: 18 ago. 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 ago. 18 ] 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 ago. 18 ] Available from: https://doi.org/10.1007/s00214-017-2108-9.pdf
Trabalho de evento
Obtenção de dados para simulação computacional como ferramenta para previsão da reação de síntese de (Z)-5-benzilideno-2,4-tiazolidinadiona: uso do método Monte Carlo para escolha do solvente (2017)
Oliveira, Y; Silva, Renan Rodrigues de Oliveira; Coutinho, Kaline Rabelo; Palma, Mauri Sérgio Alves
Source: Anais. Conference titles: Congresso Brasileiro de Engenharia Química em Iniciação Científica/COBEQ-IC. Unidades: IF, FCF
Subjects: SOLVENTE, COMPOSTOS ORGÂNICOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
OLIVEIRA, Y et al. Obtenção de dados para simulação computacional como ferramenta para previsão da reação de síntese de (Z)-5-benzilideno-2,4-tiazolidinadiona: uso do método Monte Carlo para escolha do solvente. 2017, Anais.. São Carlos: Associação Brasileira de Engenharia Química/ABEQ, 2017. . Acesso em: 18 ago. 2024.
APA
Oliveira, Y., Silva, R. R. de O., Coutinho, K. R., & Palma, M. S. A. (2017). Obtenção de dados para simulação computacional como ferramenta para previsão da reação de síntese de (Z)-5-benzilideno-2,4-tiazolidinadiona: uso do método Monte Carlo para escolha do solvente. In Anais. São Carlos: Associação Brasileira de Engenharia Química/ABEQ.
NLM
Oliveira Y, Silva RR de O, Coutinho KR, Palma MSA. Obtenção de dados para simulação computacional como ferramenta para previsão da reação de síntese de (Z)-5-benzilideno-2,4-tiazolidinadiona: uso do método Monte Carlo para escolha do solvente. Anais. 2017 ;[citado 2024 ago. 18 ]
Vancouver
Oliveira Y, Silva RR de O, Coutinho KR, Palma MSA. Obtenção de dados para simulação computacional como ferramenta para previsão da reação de síntese de (Z)-5-benzilideno-2,4-tiazolidinadiona: uso do método Monte Carlo para escolha do solvente. Anais. 2017 ;[citado 2024 ago. 18 ]
Trabalho de evento-resumo
Theoretical study of the electronic spectra of para-nitroaniline in supercritical water (2012)
Hidalgo, Marcelo; Coutinho, Kaline; Canuto, Sylvio
Source: Resumo. Conference titles: XXXV Encontro Nacional de Física da Matéria Condensada. Unidade: IF
Subjects: ESPECTROS, SOLVENTE
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
HIDALGO, Marcelo e COUTINHO, Kaline e CANUTO, Sylvio. Theoretical study of the electronic spectra of para-nitroaniline in supercritical water. 2012, Anais.. Águas de Lindóia: SBF, 2012. Disponível em: http://www.sbf1.sbfisica.org.br/eventos/enfmc/xxxv/sys/resumos/R0108-1.pdf. Acesso em: 18 ago. 2024.
APA
Hidalgo, M., Coutinho, K., & Canuto, S. (2012). Theoretical study of the electronic spectra of para-nitroaniline in supercritical water. In Resumo. Águas de Lindóia: SBF. Recuperado de http://www.sbf1.sbfisica.org.br/eventos/enfmc/xxxv/sys/resumos/R0108-1.pdf
NLM
Hidalgo M, Coutinho K, Canuto S. Theoretical study of the electronic spectra of para-nitroaniline in supercritical water [Internet]. Resumo. 2012 ;[citado 2024 ago. 18 ] Available from: http://www.sbf1.sbfisica.org.br/eventos/enfmc/xxxv/sys/resumos/R0108-1.pdf
Vancouver
Hidalgo M, Coutinho K, Canuto S. Theoretical study of the electronic spectra of para-nitroaniline in supercritical water [Internet]. Resumo. 2012 ;[citado 2024 ago. 18 ] Available from: http://www.sbf1.sbfisica.org.br/eventos/enfmc/xxxv/sys/resumos/R0108-1.pdf
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 L; Murugan, N Arul; Kongsted, Jacob; Rinkevicius, Zilvinas; Ågren, Hans; Canuto, Sylvio
Source: The Journal of Physical Chemistry B. Unidade: IF
Subjects: SOLVENTE, POLARIZAÇÃO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SILVA, Daniel L et al. The role of molecular conformation and polarizable embedding for one- and two-photon absorption of disperse orange 3 in solution. The Journal of Physical Chemistry B, v. 116, n. ju2012, p. 8169-8181, 2012Tradução . . Disponível em: https://doi.org/10.1021/jp3032034. Acesso em: 18 ago. 2024.
APA
Silva, D. L., Murugan, N. A., Kongsted, J., Rinkevicius, Z., Ågren, H., & Canuto, S. (2012). The role of molecular conformation and polarizable embedding for one- and two-photon absorption of disperse orange 3 in solution. The Journal of Physical Chemistry B, 116( ju2012), 8169-8181. doi:10.1021/jp3032034
NLM
Silva DL, Murugan NA, Kongsted J, Rinkevicius Z, Ågren H, Canuto S. The role of molecular conformation and polarizable embedding for one- and two-photon absorption of disperse orange 3 in solution [Internet]. The Journal of Physical Chemistry B. 2012 ;116( ju2012): 8169-8181.[citado 2024 ago. 18 ] Available from: https://doi.org/10.1021/jp3032034
Vancouver
Silva DL, Murugan NA, Kongsted J, Rinkevicius Z, Ågren H, Canuto S. The role of molecular conformation and polarizable embedding for one- and two-photon absorption of disperse orange 3 in solution [Internet]. The Journal of Physical Chemistry B. 2012 ;116( ju2012): 8169-8181.[citado 2024 ago. 18 ] Available from: https://doi.org/10.1021/jp3032034
Artigo de periodico
Structure and electronic properties of hydrated mesityl oxide: a sequential quantum mechanics/molecular mechanics approach (2012)
Damasceno, Marcus V. A.; Coutinho, Kaline ; Cabral, Benedito J. Costa
Source: THEORETICAL CHEMISTRY ACCOUNTS: THEORY, COMPUTATION, AND MODELING (THEORETICA CHIMICA ACTA). Unidade: IF
Subjects: MECÂNICA QUÂNTICA, SOLUTO, SOLVENTE
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
DAMASCENO, Marcus V. A. e COUTINHO, Kaline e CABRAL, Benedito J. Costa. Structure and electronic properties of hydrated mesityl oxide: a sequential quantum mechanics/molecular mechanics approach. THEORETICAL CHEMISTRY ACCOUNTS: THEORY, COMPUTATION, AND MODELING (THEORETICA CHIMICA ACTA), v. 131, n. 5, p. 1214, 2012Tradução . . Disponível em: https://doi.org/10.1007/s00214-012-1214-y. Acesso em: 18 ago. 2024.
APA
Damasceno, M. V. A., Coutinho, K., & Cabral, B. J. C. (2012). Structure and electronic properties of hydrated mesityl oxide: a sequential quantum mechanics/molecular mechanics approach. THEORETICAL CHEMISTRY ACCOUNTS: THEORY, COMPUTATION, AND MODELING (THEORETICA CHIMICA ACTA), 131( 5), 1214. doi:10.1007/s00214-012-1214-y
NLM
Damasceno MVA, Coutinho K, Cabral BJC. Structure and electronic properties of hydrated mesityl oxide: a sequential quantum mechanics/molecular mechanics approach [Internet]. THEORETICAL CHEMISTRY ACCOUNTS: THEORY, COMPUTATION, AND MODELING (THEORETICA CHIMICA ACTA). 2012 ;131( 5): 1214.[citado 2024 ago. 18 ] Available from: https://doi.org/10.1007/s00214-012-1214-y
Vancouver
Damasceno MVA, Coutinho K, Cabral BJC. Structure and electronic properties of hydrated mesityl oxide: a sequential quantum mechanics/molecular mechanics approach [Internet]. THEORETICAL CHEMISTRY ACCOUNTS: THEORY, COMPUTATION, AND MODELING (THEORETICA CHIMICA ACTA). 2012 ;131( 5): 1214.[citado 2024 ago. 18 ] Available from: https://doi.org/10.1007/s00214-012-1214-y
Trabalho de evento-resumo
Theoretical study of molecules and its interaction with embedding environment (2012)
Coutinho, Kaline
Source: Resumo. Conference titles: XXXV Encontro Nacional de Física da Matéria Condensada. Unidade: IF
Subjects: MOLÉCULA, SOLVENTE
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
COUTINHO, Kaline. Theoretical study of molecules and its interaction with embedding environment. 2012, Anais.. Águas de Lindóia: SBF, 2012. Disponível em: http://www.sbf1.sbfisica.org.br/eventos/enfmc/xxxv/sys/resumos/R0108-1.pdf. Acesso em: 18 ago. 2024.
APA
Coutinho, K. (2012). Theoretical study of molecules and its interaction with embedding environment. In Resumo. Águas de Lindóia: SBF. Recuperado de http://www.sbf1.sbfisica.org.br/eventos/enfmc/xxxv/sys/resumos/R0108-1.pdf
NLM
Coutinho K. Theoretical study of molecules and its interaction with embedding environment [Internet]. Resumo. 2012 ;[citado 2024 ago. 18 ] Available from: http://www.sbf1.sbfisica.org.br/eventos/enfmc/xxxv/sys/resumos/R0108-1.pdf
Vancouver
Coutinho K. Theoretical study of molecules and its interaction with embedding environment [Internet]. Resumo. 2012 ;[citado 2024 ago. 18 ] Available from: http://www.sbf1.sbfisica.org.br/eventos/enfmc/xxxv/sys/resumos/R0108-1.pdf

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