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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: ESPECTROSCOPIA DE ABSORÇÃO ATÔMICA, FÍSICO-QUÍMICA, RADIAÇÃO ELETROMAGNÉTICA, SOLVENTE, TERMOQUÍMICA, MECÂNICA QUÂNTICA, FÍSICA MOLECULAR
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CARDENUTO, Marcelo Hidalgo; CEZAR, Henrique; MIKKELSEN, Kurt V.; 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, Amsterdam, v. 251, 2021. Disponível em: < https://doi.org/10.1016/j.saa.2021.119434 > DOI: 10.1016/j.saa.2021.119434.
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 ; 251Available 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 ; 251Available from: https://doi.org/10.1016/j.saa.2021.119434
Artigo de periodico
Understanding the absorption spectrum of mesityl oxide dye in solvents of different polarities (2020)
Cezar, Henrique Musseli ; Canuto, Sylvio ; Coutinho, Kaline
Source: Journal of Molecular Liquids. Unidade: IF
Assunto: MECÂNICA QUÂNTICA
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CEZAR, Henrique Musseli; CANUTO, Sylvio; COUTINHO, Kaline. Understanding the absorption spectrum of mesityl oxide dye in solvents of different polarities. Journal of Molecular Liquids, Amsterdan, v. 307, 2020. DOI: 10.1016/j.molliq.2020.112924.
APA
Cezar, H. M., Canuto, S., & Coutinho, K. (2020). Understanding the absorption spectrum of mesityl oxide dye in solvents of different polarities. Journal of Molecular Liquids, 307. doi:10.1016/j.molliq.2020.112924
NLM
Cezar HM, Canuto S, Coutinho K. Understanding the absorption spectrum of mesityl oxide dye in solvents of different polarities. Journal of Molecular Liquids. 2020 ; 307
Vancouver
Cezar HM, Canuto S, Coutinho K. Understanding the absorption spectrum of mesityl oxide dye in solvents of different polarities. Journal of Molecular Liquids. 2020 ; 307
Trabalho de evento-resumo
Theoretical Study of Solvent Effects on the Electronic Properties of Mononuclear Ru/Aqua Catalysts for Water Splitting (2020)
Franco, Leandro Rezende; Coutinho, Kaline Rabelo
Conference titles: Encontro de Outono da Sociedade Brasileira de Física. Unidade: IF
Assunto: CATALISADORES
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FRANCO, Leandro Rezende; COUTINHO, Kaline Rabelo. Theoretical Study of Solvent Effects on the Electronic Properties of Mononuclear Ru/Aqua Catalysts for Water Splitting. Anais.. São Paulo: SBF-Sociedade Brasileira de Física, 2020.
APA
Franco, L. R., & Coutinho, K. R. (2020). Theoretical Study of Solvent Effects on the Electronic Properties of Mononuclear Ru/Aqua Catalysts for Water Splitting. In . São Paulo: SBF-Sociedade Brasileira de Física.
NLM
Franco LR, Coutinho KR. Theoretical Study of Solvent Effects on the Electronic Properties of Mononuclear Ru/Aqua Catalysts for Water Splitting. 2020 ;
Vancouver
Franco LR, Coutinho KR. Theoretical Study of Solvent Effects on the Electronic Properties of Mononuclear Ru/Aqua Catalysts for Water Splitting. 2020 ;
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.; COUTINHHO, K.; VARELLA, M. T. do N. Solvent effects on the π∗ shape resonances of uracil. The Journal of Chemical Physics, Maryland, v. 152, 2020. Disponível em: < https://doi.org/10.1063/1.5139459 > DOI: 10.1063/1.5139459.
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 ; 152Available 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 ; 152Available from: https://doi.org/10.1063/1.5139459
Artigo de periodico
DICE: A Monte Carlo Code for Molecular Simulation Including the Configurational Bias Monte Carlo Method (2020)
Cezar, Henrique Musseli ; Coutinho, Kaline Rabelo ; Canuto, Sylvio Roberto Accioly
Source: Journal of Chemical Information Modeling. Unidade: IF
Assunto: MÉTODO DE MONTE CARLO
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CEZAR, Henrique Musseli; COUTINHO, Kaline Rabelo; CANUTO, Sylvio Roberto Accioly. DICE: A Monte Carlo Code for Molecular Simulation Including the Configurational Bias Monte Carlo Method. Journal of Chemical Information Modeling, New York, v. 60, n. 7, p. 3472–3488, 2020. DOI: 10.1021/acs.jcim.0c00077.
APA
Cezar, H. M., Coutinho, K. R., & Canuto, S. R. A. (2020). DICE: A Monte Carlo Code for Molecular Simulation Including the Configurational Bias Monte Carlo Method. Journal of Chemical Information Modeling, 60( 7), 3472–3488. doi:10.1021/acs.jcim.0c00077
NLM
Cezar HM, Coutinho KR, Canuto SRA. DICE: A Monte Carlo Code for Molecular Simulation Including the Configurational Bias Monte Carlo Method. Journal of Chemical Information Modeling. 2020 ; 60( 7): 3472–3488.
Vancouver
Cezar HM, Coutinho KR, Canuto SRA. DICE: A Monte Carlo Code for Molecular Simulation Including the Configurational Bias Monte Carlo Method. Journal of Chemical Information Modeling. 2020 ; 60( 7): 3472–3488.
Artigo de periodico
A new interpretation of the absorption and the dual fluorescence of Prodan in solution (2020)
Vequi-Suplicy, Cintia C; Orozco Gonzalez, Yoelvis; Canuto, Sylvio Roberto Accioly ; Coutinho, Kaline Rabelo ; Lamy, Maria Teresa Moura
Source: Journal fo Chemical Physics. Unidade: IF
Assunto: FLUORESCÊNCIA
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ABNT
VEQUI-SUPLICY, Cintia C; OROZCO GONZALEZ, Yoelvis; CANUTO, Sylvio Roberto Accioly; COUTINHO, Kaline Rabelo; LAMY, Maria Teresa Moura. A new interpretation of the absorption and the dual fluorescence of Prodan in solution. Journal fo Chemical Physics, Maryland, v. 153, 2020. DOI: 10.1063/5.0025013.
APA
Vequi-Suplicy, C. C., Orozco Gonzalez, Y., Canuto, S. R. A., Coutinho, K. R., & Lamy, M. T. M. (2020). A new interpretation of the absorption and the dual fluorescence of Prodan in solution. Journal fo Chemical Physics, 153. doi:10.1063/5.0025013
NLM
Vequi-Suplicy CC, Orozco Gonzalez Y, Canuto SRA, Coutinho KR, Lamy MTM. A new interpretation of the absorption and the dual fluorescence of Prodan in solution. Journal fo Chemical Physics. 2020 ; 153
Vancouver
Vequi-Suplicy CC, Orozco Gonzalez Y, Canuto SRA, Coutinho KR, Lamy MTM. A new interpretation of the absorption and the dual fluorescence of Prodan in solution. Journal fo Chemical Physics. 2020 ; 153
Artigo de periodico
Quantum mechanics meets scaling theory near the critical point (2020)
Bistafa, Carlos; Ramos, Tárcius N. ; Coutinho, Kaline Rabelo ; Canuto, Sylvio
Source: Theoretical Chemistry Accounts. Unidade: IF
Assunto: MECÂNICA QUÂNTICA
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ABNT
BISTAFA, Carlos; RAMOS, Tárcius N.; COUTINHO, Kaline Rabelo; CANUTO, Sylvio. Quantum mechanics meets scaling theory near the critical point. Theoretical Chemistry Accounts, Berlin, v. 139, 2020. DOI: 10.1007/s00214-020-02596-x.
APA
Bistafa, C., Ramos, T. N., Coutinho, K. R., & Canuto, S. (2020). Quantum mechanics meets scaling theory near the critical point. Theoretical Chemistry Accounts, 139. doi:10.1007/s00214-020-02596-x
NLM
Bistafa C, Ramos TN, Coutinho KR, Canuto S. Quantum mechanics meets scaling theory near the critical point. Theoretical Chemistry Accounts. 2020 ; 139
Vancouver
Bistafa C, Ramos TN, Coutinho KR, Canuto S. Quantum mechanics meets scaling theory near the critical point. Theoretical Chemistry Accounts. 2020 ; 139
Trabalho de evento-resumo
Flip to enter: initial steps of BP-100/membrane interaction (2019)
Park, Peter; Cuccovia, Iolanda Midea ; Lima, Filipe da Silva; Franco, Leandro Rezende; Chaimovich Guralnik, Hernan ; Coutinho, Kaline Rabelo
Source: Abstracts. Conference titles: Annual Meeting of the Brazilian Society for Biochemistry and Molecular Biology/SBBq. Unidades: IQ, IF
Subjects: PEPTÍDEOS, BIOQUÍMICA
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ABNT
PARK, Peter; CUCCOVIA, Iolanda Midea; LIMA, Filipe da Silva; et al. Flip to enter: initial steps of BP-100/membrane interaction. Anais.. São Paulo: Sociedade Brasileira de Bioquímica e Biologia Molecular/SBBq, 2019.Disponível em: .
APA
Park, P., Cuccovia, I. M., Lima, F. da S., Franco, L. R., Chaimovich Guralnik, H., & Coutinho, K. R. (2019). Flip to enter: initial steps of BP-100/membrane interaction. In Abstracts. São Paulo: Sociedade Brasileira de Bioquímica e Biologia Molecular/SBBq. Recuperado de http://www.sbbq.org.br/reuniao/2019/images/Livro_Resumos_2019.pdf
NLM
Park P, Cuccovia IM, Lima F da S, Franco LR, Chaimovich Guralnik H, Coutinho KR. Flip to enter: initial steps of BP-100/membrane interaction [Internet]. Abstracts. 2019 ;Available from: http://www.sbbq.org.br/reuniao/2019/images/Livro_Resumos_2019.pdf
Vancouver
Park P, Cuccovia IM, Lima F da S, Franco LR, Chaimovich Guralnik H, Coutinho KR. Flip to enter: initial steps of BP-100/membrane interaction [Internet]. Abstracts. 2019 ;Available from: http://www.sbbq.org.br/reuniao/2019/images/Livro_Resumos_2019.pdf
Artigo de periodico
Binding and flip as initial steps for BP-100 antimicrobial actions (2019)
Park, Peter ; Chaimovich Guralnik, Hernan ; Coutinho, Kaline Rabelo ; Cuccovia, Iolanda Midea ; Lima, Filipe S; Franco, Leandro R
Source: Scientific Reports. Unidades: IF, IQ
Subjects: PEPTÍDEOS, BIOQUÍMICA
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ABNT
PARK, Peter; CHAIMOVICH GURALNIK, Hernan; COUTINHO, Kaline Rabelo; et al. Binding and flip as initial steps for BP-100 antimicrobial actions. Scientific Reports, London, v. 9, p. 1-14 art. 8622, 2019. Disponível em: < http://dx.doi.org/10.1038/s41598-019-45075-5 > DOI: 10.1038/s41598-019-45075-5.
APA
Park, P., Chaimovich Guralnik, H., Coutinho, K. R., Cuccovia, I. M., Lima, F. S., & Franco, L. R. (2019). Binding and flip as initial steps for BP-100 antimicrobial actions. Scientific Reports, 9, 1-14 art. 8622. doi:10.1038/s41598-019-45075-5
NLM
Park P, Chaimovich Guralnik H, Coutinho KR, Cuccovia IM, Lima FS, Franco LR. Binding and flip as initial steps for BP-100 antimicrobial actions [Internet]. Scientific Reports. 2019 ; 9 1-14 art. 8622.Available from: http://dx.doi.org/10.1038/s41598-019-45075-5
Vancouver
Park P, Chaimovich Guralnik H, Coutinho KR, Cuccovia IM, Lima FS, Franco LR. Binding and flip as initial steps for BP-100 antimicrobial actions [Internet]. Scientific Reports. 2019 ; 9 1-14 art. 8622.Available from: http://dx.doi.org/10.1038/s41598-019-45075-5
Artigo de periodico
X-ray photoelectron fingerprints of high-valence ruthenium−oxo complexes along the oxidation reaction pathway in an aqueous environment (2019)
Silva, José Luís; Unger, Isaak ; Matias, Tiago Araújo ; Franco, Leandro Rezende; Damas, Giane ; Costa, Luciano Tavares da ; Toledo, Kalil Cristhian Figueiredo; Rocha, Tulio C. R; Brito, Arnaldo Naves de ; Saak, Clara Magdalena; Coutinho, Kaline ; Araki, Koiti ; Björneholm, Olle; Brena, Barbara; Araujo, C. Moyses
Source: Journal of Physical Chemistry Letters. Unidades: IF, IQ
Subjects: RAIOS X, ESPECTROSCOPIA FOTOELETRÔNICA, RUTÊNIO
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ABNT
SILVA, José Luís; UNGER, Isaak; MATIAS, Tiago Araújo; et al. X-ray photoelectron fingerprints of high-valence ruthenium−oxo complexes along the oxidation reaction pathway in an aqueous environment. Journal of Physical Chemistry Letters, Washington, v. 10, p. 7636-7643 : + Supplementary materials ( S1-S12), 2019. Disponível em: < http://dx.doi.org/10.1021/acs.jpclett.9b02756 > DOI: 10.1021/acs.jpclett.9b02756.
APA
Silva, J. L., Unger, I., Matias, T. A., Franco, L. R., Damas, G., Costa, L. T. da, et al. (2019). X-ray photoelectron fingerprints of high-valence ruthenium−oxo complexes along the oxidation reaction pathway in an aqueous environment. Journal of Physical Chemistry Letters, 10, 7636-7643 : + Supplementary materials ( S1-S12). doi:10.1021/acs.jpclett.9b02756
NLM
Silva JL, Unger I, Matias TA, Franco LR, Damas G, Costa LT da, Toledo KCF, Rocha TCR, Brito AN de, Saak CM, Coutinho K, Araki K, Björneholm O, Brena B, Araujo CM. X-ray photoelectron fingerprints of high-valence ruthenium−oxo complexes along the oxidation reaction pathway in an aqueous environment [Internet]. Journal of Physical Chemistry Letters. 2019 ; 10 7636-7643 : + Supplementary materials ( S1-S12).Available from: http://dx.doi.org/10.1021/acs.jpclett.9b02756
Vancouver
Silva JL, Unger I, Matias TA, Franco LR, Damas G, Costa LT da, Toledo KCF, Rocha TCR, Brito AN de, Saak CM, Coutinho K, Araki K, Björneholm O, Brena B, Araujo CM. X-ray photoelectron fingerprints of high-valence ruthenium−oxo complexes along the oxidation reaction pathway in an aqueous environment [Internet]. Journal of Physical Chemistry Letters. 2019 ; 10 7636-7643 : + Supplementary materials ( S1-S12).Available from: http://dx.doi.org/10.1021/acs.jpclett.9b02756
Artigo de periodico
SuAVE: A Tool for Analyzing Curvature-Dependent Properties in Chemical Interfaces (2019)
Santos, Denys E. S.; Pontes, Frederico J. S.; Lins, Roberto D. ; Coutinho, Kaline ; Soares, Thereza A.
Source: Journal of Chemical Information and Modeling. Unidade: IF
Subjects: FLUÍDOS COMPLEXOS, ENDOCITOSE, MEMBRANAS (BIOLOGIA), BIOTECNOLOGIA
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ABNT
SANTOS, Denys E. S.; PONTES, Frederico J. S.; LINS, Roberto D.; COUTINHO, Kaline; SOARES, Thereza A. SuAVE: A Tool for Analyzing Curvature-Dependent Properties in Chemical Interfaces. Journal of Chemical Information and Modeling, Washington, 2019. Disponível em: < https://doi-org.ez67.periodicos.capes.gov.br/10.1021/acs.jcim.9b00569 > DOI: 10.1021/acs.jcim.9b00569.
APA
Santos, D. E. S., Pontes, F. J. S., Lins, R. D., Coutinho, K., & Soares, T. A. (2019). SuAVE: A Tool for Analyzing Curvature-Dependent Properties in Chemical Interfaces. Journal of Chemical Information and Modeling. doi:10.1021/acs.jcim.9b00569
NLM
Santos DES, Pontes FJS, Lins RD, Coutinho K, Soares TA. SuAVE: A Tool for Analyzing Curvature-Dependent Properties in Chemical Interfaces [Internet]. Journal of Chemical Information and Modeling. 2019 ;Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1021/acs.jcim.9b00569
Vancouver
Santos DES, Pontes FJS, Lins RD, Coutinho K, Soares TA. SuAVE: A Tool for Analyzing Curvature-Dependent Properties in Chemical Interfaces [Internet]. Journal of Chemical Information and Modeling. 2019 ;Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1021/acs.jcim.9b00569
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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ABNT
LACERDA JR., Evanildo G.; KAMOUNAH, Fadhil S.; COUTINHO, Kaline; 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, Weinheim, v. 20, n. 1, p. 78-91, 2019. Disponível em: < https://doi-org.ez67.periodicos.capes.gov.br/10.1002/cphc.201801066 > DOI: 10.1002/cphc.201801066.
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.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.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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ABNT
COLHERINHAS, Guilherme; OLIVEIRA, Leonardo Bruno Assis; CASTRO, Marcos A.; et al. On the calculation of magnetic properties of nucleic acids in liquid water with the sequential QM/MM method. Journal of Molecular Liquids, Amsterdam, v. 294, n. 15, 2019. Disponível em: < https://doi.org/10.1016/j.molliq.2019.111611 > DOI: 10.1016/j.molliq.2019.111611.
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):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):Available from: https://doi.org/10.1016/j.molliq.2019.111611
Artigo de periodico
Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods (2019)
Cezar, Henrique Musseli; Coutinho, Kaline Rabelo ; Canuto, Sylvio Roberto Accioly
Source: International Journal of Quantum Chemistry. Unidade: IF
Subjects: NANOTECNOLOGIA, MODELAGEM MOLECULAR
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ABNT
CEZAR, Henrique Musseli; COUTINHO, Kaline Rabelo; CANUTO, Sylvio Roberto Accioly. Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods. International Journal of Quantum Chemistry, New Jersey, v. 119, n. 1, 2019. Disponível em: < https://doi-org.ez67.periodicos.capes.gov.br/10.1002/qua.25688 > DOI: 10.1002/qua.25688.
APA
Cezar, H. M., Coutinho, K. R., & Canuto, S. R. A. (2019). Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods. International Journal of Quantum Chemistry, 119( 1). doi:10.1002/qua.25688
NLM
Cezar HM, Coutinho KR, Canuto SRA. Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods [Internet]. International Journal of Quantum Chemistry. 2019 ; 119( 1):Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/qua.25688
Vancouver
Cezar HM, Coutinho KR, Canuto SRA. Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods [Internet]. International Journal of Quantum Chemistry. 2019 ; 119( 1):Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/qua.25688
Trabalho de evento-resumo
Solvatação de atomos de positrônio (2018)
Bergami, Mateus; Coutinho, Kaline Rabelo; Varella, Márcio Teixeira do Nascimento
Source: Resumo. Conference titles: Escola Brasileira de Estrutura Eletrônica. Unidade: IF
Subjects: FÍSICA ATÔMICA, FÍSICA MOLECULAR, SOLVATAÇÃO
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ABNT
BERGAMI, Mateus; COUTINHO, Kaline Rabelo; VARELLA, Márcio Teixeira do Nascimento. Solvatação de atomos de positrônio. Anais.. São Paulo: SBF, 2018.
APA
Bergami, M., Coutinho, K. R., & Varella, M. T. do N. (2018). Solvatação de atomos de positrônio. In Resumo. São Paulo: SBF.
NLM
Bergami M, Coutinho KR, Varella MT do N. Solvatação de atomos de positrônio. Resumo. 2018 ;
Vancouver
Bergami M, Coutinho KR, Varella MT do N. Solvatação de atomos de positrônio. Resumo. 2018 ;
Artigo de periodico
Theoretical study of the NMR chemical shift of 'XE' in supercritical condition (2018)
Lacerda Jr., Evanildo G.; Mikkelsen, Kurt V.; Canuto, Sylvio Roberto Accioly; Coutinho, Kaline Rabelo; Sauer, Stephan P. A.
Source: Journal of Molecular Modeling. Unidade: IF
Subjects: ESTRUTURA ELETRÔNICA, ELETROSTÁTICA, NUCLEOSÍDEOS, CLUSTERS
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ABNT
LACERDA JR., Evanildo G.; MIKKELSEN, Kurt V.; CANUTO, Sylvio Roberto Accioly; COUTINHO, Kaline Rabelo; SAUER, Stephan P. A. Theoretical study of the NMR chemical shift of 'XE' in supercritical condition. Journal of Molecular Modeling, New York, v. 24, n. 3, p. 62, 2018. DOI: 10.1007/s00894-018-3600-4.
APA
Lacerda Jr., E. G., Mikkelsen, K. V., Canuto, S. R. A., Coutinho, K. R., & Sauer, S. P. A. (2018). Theoretical study of the NMR chemical shift of 'XE' in supercritical condition. Journal of Molecular Modeling, 24( 3), 62. doi:10.1007/s00894-018-3600-4
NLM
Lacerda Jr. EG, Mikkelsen KV, Canuto SRA, Coutinho KR, Sauer SPA. Theoretical study of the NMR chemical shift of 'XE' in supercritical condition. Journal of Molecular Modeling. 2018 ; 24( 3): 62.
Vancouver
Lacerda Jr. EG, Mikkelsen KV, Canuto SRA, Coutinho KR, Sauer SPA. Theoretical study of the NMR chemical shift of 'XE' in supercritical condition. Journal of Molecular Modeling. 2018 ; 24( 3): 62.
Trabalho de evento-resumo
Molecular dynamics simulation of the interaction between BP100 and phospholipid bilayers (2017)
Park, Peter; Lima, Filipe da Silva; Coutinho, Kaline Rabelo; Chaimovich Guralnik, Hernan ; Cuccovia, Iolanda Midea
Source: Abstracts. Conference titles: Annual Meeting of the Brazilian Society for Biochemistry and Molecular Biology. Unidades: IF, IQ
Subjects: PEPTÍDEOS, FOSFOLIPÍDEOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
PARK, Peter; LIMA, Filipe da Silva; COUTINHO, Kaline Rabelo; CHAIMOVICH GURALNIK, Hernan; CUCCOVIA, Iolanda Midea. Molecular dynamics simulation of the interaction between BP100 and phospholipid bilayers. Anais.. São Paulo: Sociedade Brasileira de Bioquímica e Biologia Molecular/SBBq, 2017.
APA
Park, P., Lima, F. da S., Coutinho, K. R., Chaimovich Guralnik, H., & Cuccovia, I. M. (2017). Molecular dynamics simulation of the interaction between BP100 and phospholipid bilayers. In Abstracts. São Paulo: Sociedade Brasileira de Bioquímica e Biologia Molecular/SBBq.
NLM
Park P, Lima F da S, Coutinho KR, Chaimovich Guralnik H, Cuccovia IM. Molecular dynamics simulation of the interaction between BP100 and phospholipid bilayers. Abstracts. 2017 ;
Vancouver
Park P, Lima F da S, Coutinho KR, Chaimovich Guralnik H, Cuccovia IM. Molecular dynamics simulation of the interaction between BP100 and phospholipid bilayers. Abstracts. 2017 ;
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; SILVA, Renan Rodrigues de Oliveira; COUTINHO, Kaline Rabelo; PALMA, Mauri Sérgio Alves. 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.. São Carlos: Associação Brasileira de Engenharia Química/ABEQ, 2017.
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 ;
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 ;
Trabalho de evento-resumo periodico
Dice® software applied to the sinthesis of (z)-5-benzylidene-2,4-thiazolidinedione in continuous flow in capillary microreactor (2017)
Oliveira, Yuly de Souza; Silva, Renan Rodrigues de Oliveira; Lazarotto, Matheus; Coutinho, Kaline Rabelo; Palma, Mauri Sérgio Alves
Source: Brazilian Journal of Pharmaceutical Sciences. Conference titles: Pharmaceutical Science and Technology Meeting of the Faculty of Pharmaceutical Sciences, University of São Paulo. Unidades: IF, FCF
Subjects: REATORES QUÍMICOS, ANÁLISE EM FLUXO CONTÍNUO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
OLIVEIRA, Yuly de Souza; SILVA, Renan Rodrigues de Oliveira; LAZAROTTO, Matheus; COUTINHO, Kaline Rabelo; PALMA, Mauri Sérgio Alves. Dice® software applied to the sinthesis of (z)-5-benzylidene-2,4-thiazolidinedione in continuous flow in capillary microreactor. Brazilian Journal of Pharmaceutical Sciences[S.l: s.n.], 2017.
APA
Oliveira, Y. de S., Silva, R. R. de O., Lazarotto, M., Coutinho, K. R., & Palma, M. S. A. (2017). Dice® software applied to the sinthesis of (z)-5-benzylidene-2,4-thiazolidinedione in continuous flow in capillary microreactor. Brazilian Journal of Pharmaceutical Sciences. São Paulo.
NLM
Oliveira Y de S, Silva RR de O, Lazarotto M, Coutinho KR, Palma MSA. Dice® software applied to the sinthesis of (z)-5-benzylidene-2,4-thiazolidinedione in continuous flow in capillary microreactor. Brazilian Journal of Pharmaceutical Sciences. 2017 ; 53 23 res. FCF042.
Vancouver
Oliveira Y de S, Silva RR de O, Lazarotto M, Coutinho KR, Palma MSA. Dice® software applied to the sinthesis of (z)-5-benzylidene-2,4-thiazolidinedione in continuous flow in capillary microreactor. Brazilian Journal of Pharmaceutical Sciences. 2017 ; 53 23 res. FCF042.
Artigo de periodico
Free energy barrier for dissociation of the guanosine monophosphate anion in water (2016)
Cornetta, Lucas Medeiros; Coutinho, Kalline Rabelo; Canuto, Sylvio Roberto Accioly; Varella, Márcio Teixeira do Nascimento
Source: Chemical Physics Letters. Unidade: IF
Subjects: ELETROSTÁTICA, SILÍCIO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
CORNETTA, Lucas Medeiros; COUTINHO, Kalline Rabelo; CANUTO, Sylvio Roberto Accioly; VARELLA, Márcio Teixeira do Nascimento. Free energy barrier for dissociation of the guanosine monophosphate anion in water. Chemical Physics Letters, New York, v. 655, p. 30-34, 2016. Disponível em: < http://www.sciencedirect.com/science/article/pii/S0009261416303293 > DOI: 10.1021/acs.jpca.6b01797.
APA
Cornetta, L. M., Coutinho, K. R., Canuto, S. R. A., & Varella, M. T. do N. (2016). Free energy barrier for dissociation of the guanosine monophosphate anion in water. Chemical Physics Letters, 655, 30-34. doi:10.1021/acs.jpca.6b01797
NLM
Cornetta LM, Coutinho KR, Canuto SRA, Varella MT do N. Free energy barrier for dissociation of the guanosine monophosphate anion in water [Internet]. Chemical Physics Letters. 2016 ; 655 30-34.Available from: http://www.sciencedirect.com/science/article/pii/S0009261416303293
Vancouver
Cornetta LM, Coutinho KR, Canuto SRA, Varella MT do N. Free energy barrier for dissociation of the guanosine monophosphate anion in water [Internet]. Chemical Physics Letters. 2016 ; 655 30-34.Available from: http://www.sciencedirect.com/science/article/pii/S0009261416303293

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