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Artigo de periodico
Hydrogen bond interactions between acetone and supercritical water (2010)
Fonseca, Tertius Lima; Coutinho, Kaline Rabelo ; Canuto, Sylvio
Source: Physical Chemistry Chemical Physics. Unidade: IF
Subjects: MÉTODO DE MONTE CARLO, MECÂNICA QUÂNTICA, REAÇÕES QUÍMICAS, SIMULAÇÃO (MODELAGEM COMPUTACIONAL), ESPECTROSCOPIA
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FONSECA, Tertius Lima e COUTINHO, Kaline Rabelo e CANUTO, Sylvio. Hydrogen bond interactions between acetone and supercritical water. Physical Chemistry Chemical Physics, v. 12, n. 25, p. 6660-6665, 2010Tradução . . Disponível em: https://doi.org/10.1039/b926527a. Acesso em: 29 maio 2024.
APA
Fonseca, T. L., Coutinho, K. R., & Canuto, S. (2010). Hydrogen bond interactions between acetone and supercritical water. Physical Chemistry Chemical Physics, 12( 25), 6660-6665. doi:10.1039/b926527a
NLM
Fonseca TL, Coutinho KR, Canuto S. Hydrogen bond interactions between acetone and supercritical water [Internet]. Physical Chemistry Chemical Physics. 2010 ; 12( 25): 6660-6665.[citado 2024 maio 29 ] Available from: https://doi.org/10.1039/b926527a
Vancouver
Fonseca TL, Coutinho KR, Canuto S. Hydrogen bond interactions between acetone and supercritical water [Internet]. Physical Chemistry Chemical Physics. 2010 ; 12( 25): 6660-6665.[citado 2024 maio 29 ] Available from: https://doi.org/10.1039/b926527a
Artigo de periodico
Hyperpolarizabilities of the methanol molecule: a CCSD calculation including vibrational corrections (2010)
Dutra, Adriano S; Castro, Marcos A; Fonseca, Tertius L; Fileti, Eudes Eterno; Canuto, Sylvio
Source: Journal of Chemical Physics. Unidade: IF
Subjects: METANOL, PARTÍCULAS (FÍSICA NUCLEAR)
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DUTRA, Adriano S et al. Hyperpolarizabilities of the methanol molecule: a CCSD calculation including vibrational corrections. Journal of Chemical Physics, v. 132, n. 034307/1-034307/8, 2010Tradução . . Disponível em: https://doi.org/10.1063/1.3298914. Acesso em: 29 maio 2024.
APA
Dutra, A. S., Castro, M. A., Fonseca, T. L., Fileti, E. E., & Canuto, S. (2010). Hyperpolarizabilities of the methanol molecule: a CCSD calculation including vibrational corrections. Journal of Chemical Physics, 132( 034307/1-034307/8). doi:10.1063/1.3298914
NLM
Dutra AS, Castro MA, Fonseca TL, Fileti EE, Canuto S. Hyperpolarizabilities of the methanol molecule: a CCSD calculation including vibrational corrections [Internet]. Journal of Chemical Physics. 2010 ; 132( 034307/1-034307/8):[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.3298914
Vancouver
Dutra AS, Castro MA, Fonseca TL, Fileti EE, Canuto S. Hyperpolarizabilities of the methanol molecule: a CCSD calculation including vibrational corrections [Internet]. Journal of Chemical Physics. 2010 ; 132( 034307/1-034307/8):[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.3298914
Artigo de periodico
Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments (2010)
Pasalic, Hasan; Aquino, Adélia J A; Tunega, Daniel; Haberhauer, Georg; Gerzabek, Martin H; Georg, Herbert C; Moraes, Tatiane F; Coutinho, Kaline Rabelo; Canuto, Sylvio; Lischka, Hans
Source: Journal of Computational Chemistry. Unidade: IF
Subjects: TERMODINÂMICA (FÍSICO-QUÍMICA), MÉTODO DE MONTE CARLO
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PASALIC, Hasan et al. Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments. Journal of Computational Chemistry, v. 31, n. 10, p. 2046-2055, 2010Tradução . . Disponível em: https://doi.org/10.1002/jcc.21491. Acesso em: 29 maio 2024.
APA
Pasalic, H., Aquino, A. J. A., Tunega, D., Haberhauer, G., Gerzabek, M. H., Georg, H. C., et al. (2010). Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments. Journal of Computational Chemistry, 31( 10), 2046-2055. doi:10.1002/jcc.21491
NLM
Pasalic H, Aquino AJA, Tunega D, Haberhauer G, Gerzabek MH, Georg HC, Moraes TF, Coutinho KR, Canuto S, Lischka H. Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments [Internet]. Journal of Computational Chemistry. 2010 ; 31( 10): 2046-2055.[citado 2024 maio 29 ] Available from: https://doi.org/10.1002/jcc.21491
Vancouver
Pasalic H, Aquino AJA, Tunega D, Haberhauer G, Gerzabek MH, Georg HC, Moraes TF, Coutinho KR, Canuto S, Lischka H. Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments [Internet]. Journal of Computational Chemistry. 2010 ; 31( 10): 2046-2055.[citado 2024 maio 29 ] Available from: https://doi.org/10.1002/jcc.21491
Artigo de periodico
Characterization and spectroscopic analysis of phenol–ethanol hydrogen bonded clusters (2010)
Barreto, Rafael C; Canuto, Sylvio
Source: Chemical Physics Letters. Unidade: IF
Subjects: FÍSICO-QUÍMICA, MÉTODO DE MONTE CARLO, ANÁLISE ESPECTROSCÓPICA, ETANOL
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BARRETO, Rafael C e CANUTO, Sylvio. Characterization and spectroscopic analysis of phenol–ethanol hydrogen bonded clusters. Chemical Physics Letters, v. 496, n. 4-6, p. 236-242, 2010Tradução . . Disponível em: https://doi.org/10.1016/j.cplett.2010.07.058. Acesso em: 29 maio 2024.
APA
Barreto, R. C., & Canuto, S. (2010). Characterization and spectroscopic analysis of phenol–ethanol hydrogen bonded clusters. Chemical Physics Letters, 496( 4-6), 236-242. doi:10.1016/j.cplett.2010.07.058
NLM
Barreto RC, Canuto S. Characterization and spectroscopic analysis of phenol–ethanol hydrogen bonded clusters [Internet]. Chemical Physics Letters. 2010 ; 496( 4-6): 236-242.[citado 2024 maio 29 ] Available from: https://doi.org/10.1016/j.cplett.2010.07.058
Vancouver
Barreto RC, Canuto S. Characterization and spectroscopic analysis of phenol–ethanol hydrogen bonded clusters [Internet]. Chemical Physics Letters. 2010 ; 496( 4-6): 236-242.[citado 2024 maio 29 ] Available from: https://doi.org/10.1016/j.cplett.2010.07.058
Artigo de periodico
`ANTPOT.85 Rb´Bose-Einstein condensate with tunable interaction: a quantum many body approach (2009)
Das, Tapan Kumar; Kundu, Anasuya; Canuto, Sylvio; Chakrabarti, Barnali
Source: Physics Letters A. Unidade: IF
Assunto: CONDENSADO DE BOSE-EINSTEIN
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DAS, Tapan Kumar et al. `ANTPOT.85 Rb´Bose-Einstein condensate with tunable interaction: a quantum many body approach. Physics Letters A, v. 373, n. 2, p. 258-261, 2009Tradução . . Disponível em: http://www.sciencedirect.com/science/journal/03759601. Acesso em: 29 maio 2024.
APA
Das, T. K., Kundu, A., Canuto, S., & Chakrabarti, B. (2009). `ANTPOT.85 Rb´Bose-Einstein condensate with tunable interaction: a quantum many body approach. Physics Letters A, 373( 2), 258-261. Recuperado de http://www.sciencedirect.com/science/journal/03759601
NLM
Das TK, Kundu A, Canuto S, Chakrabarti B. `ANTPOT.85 Rb´Bose-Einstein condensate with tunable interaction: a quantum many body approach [Internet]. Physics Letters A. 2009 ; 373( 2): 258-261.[citado 2024 maio 29 ] Available from: http://www.sciencedirect.com/science/journal/03759601
Vancouver
Das TK, Kundu A, Canuto S, Chakrabarti B. `ANTPOT.85 Rb´Bose-Einstein condensate with tunable interaction: a quantum many body approach [Internet]. Physics Letters A. 2009 ; 373( 2): 258-261.[citado 2024 maio 29 ] Available from: http://www.sciencedirect.com/science/journal/03759601
Artigo de periodico
Dipole polarizability and Rayleigh light scattering by the hydrated electron (2009)
Fonseca, Tertius L; Castro, Marcos A; Cabral, Benedito J Costa; Coutinho, Kaline Rabelo; Canuto, Sylvio
Source: Chemical Physics Letters. Unidade: IF
Subjects: FÍSICO-QUÍMICA, POLARIZAÇÃO
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FONSECA, Tertius L et al. Dipole polarizability and Rayleigh light scattering by the hydrated electron. Chemical Physics Letters, v. 481, n. 1-3, p. 73-77, 2009Tradução . . Disponível em: https://doi.org/10.1016/j.cplett.2009.09.048. Acesso em: 29 maio 2024.
APA
Fonseca, T. L., Castro, M. A., Cabral, B. J. C., Coutinho, K. R., & Canuto, S. (2009). Dipole polarizability and Rayleigh light scattering by the hydrated electron. Chemical Physics Letters, 481( 1-3), 73-77. doi:10.1016/j.cplett.2009.09.048
NLM
Fonseca TL, Castro MA, Cabral BJC, Coutinho KR, Canuto S. Dipole polarizability and Rayleigh light scattering by the hydrated electron [Internet]. Chemical Physics Letters. 2009 ; 481( 1-3): 73-77.[citado 2024 maio 29 ] Available from: https://doi.org/10.1016/j.cplett.2009.09.048
Vancouver
Fonseca TL, Castro MA, Cabral BJC, Coutinho KR, Canuto S. Dipole polarizability and Rayleigh light scattering by the hydrated electron [Internet]. Chemical Physics Letters. 2009 ; 481( 1-3): 73-77.[citado 2024 maio 29 ] Available from: https://doi.org/10.1016/j.cplett.2009.09.048
Artigo de periodico
Polarization and spectral shift of benzophenone in supercritical water (2009)
Fonseca, Tertius Lima; Georg, Herbert de Castro; Coutinho, Kaline Rabelo; Canuto, Sylvio
Source: Journal of Physical Chemistry A. Unidade: IF
Subjects: MECÂNICA QUÂNTICA, MÉTODO DE MONTE CARLO
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FONSECA, Tertius Lima et al. Polarization and spectral shift of benzophenone in supercritical water. Journal of Physical Chemistry A, v. 113, n. 17, p. 5112-5118, 2009Tradução . . Disponível em: http://pubs.acs.org/doi/pdfplus/10.1021/jp809694w. Acesso em: 29 maio 2024.
APA
Fonseca, T. L., Georg, H. de C., Coutinho, K. R., & Canuto, S. (2009). Polarization and spectral shift of benzophenone in supercritical water. Journal of Physical Chemistry A, 113( 17), 5112-5118. Recuperado de http://pubs.acs.org/doi/pdfplus/10.1021/jp809694w
NLM
Fonseca TL, Georg H de C, Coutinho KR, Canuto S. Polarization and spectral shift of benzophenone in supercritical water [Internet]. Journal of Physical Chemistry A. 2009 ; 113( 17): 5112-5118.[citado 2024 maio 29 ] Available from: http://pubs.acs.org/doi/pdfplus/10.1021/jp809694w
Vancouver
Fonseca TL, Georg H de C, Coutinho KR, Canuto S. Polarization and spectral shift of benzophenone in supercritical water [Internet]. Journal of Physical Chemistry A. 2009 ; 113( 17): 5112-5118.[citado 2024 maio 29 ] Available from: http://pubs.acs.org/doi/pdfplus/10.1021/jp809694w
Artigo de periodico
Combined Monte Carlo and quantum mechanics study of the solvatochromism of phenol in water. The origin of the blue shift of the lowest `pi´-`pi´* transition (2009)
Barreto, Rafael Carvalho; Coutinho, Kaline Rabelo; Georg, Herbert de Castro; Canuto, Sylvio
Source: Physical Chemistry Chemical Physics. Unidade: IF
Assunto: MÉTODO DE MONTE CARLO
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BARRETO, Rafael Carvalho et al. Combined Monte Carlo and quantum mechanics study of the solvatochromism of phenol in water. The origin of the blue shift of the lowest `pi´-`pi´* transition. Physical Chemistry Chemical Physics, v. 11, n. 9, 2009Tradução . . Disponível em: http://www.rsc.org/ej/CP/2009/b816912h.pdf. Acesso em: 29 maio 2024.
APA
Barreto, R. C., Coutinho, K. R., Georg, H. de C., & Canuto, S. (2009). Combined Monte Carlo and quantum mechanics study of the solvatochromism of phenol in water. The origin of the blue shift of the lowest `pi´-`pi´* transition. Physical Chemistry Chemical Physics, 11( 9). Recuperado de http://www.rsc.org/ej/CP/2009/b816912h.pdf
NLM
Barreto RC, Coutinho KR, Georg H de C, Canuto S. Combined Monte Carlo and quantum mechanics study of the solvatochromism of phenol in water. The origin of the blue shift of the lowest `pi´-`pi´* transition [Internet]. Physical Chemistry Chemical Physics. 2009 ; 11( 9):[citado 2024 maio 29 ] Available from: http://www.rsc.org/ej/CP/2009/b816912h.pdf
Vancouver
Barreto RC, Coutinho KR, Georg H de C, Canuto S. Combined Monte Carlo and quantum mechanics study of the solvatochromism of phenol in water. The origin of the blue shift of the lowest `pi´-`pi´* transition [Internet]. Physical Chemistry Chemical Physics. 2009 ; 11( 9):[citado 2024 maio 29 ] Available from: http://www.rsc.org/ej/CP/2009/b816912h.pdf
Trabalho de evento-anais periodico
Proceedings of the XIV Brazilian Symposium of Theoretical Chemistry: preface (2008)
Canuto, Sylvio; Bielchowsky, Carlos E
Source: International Journal of Quantum Chemistry. Conference titles: Brazilian Symposium Chemistry. Unidade: IF
Subjects: QUÍMICA TEÓRICA, QUÍMICA QUÂNTICA
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CANUTO, Sylvio e BIELCHOWSKY, Carlos E. Proceedings of the XIV Brazilian Symposium of Theoretical Chemistry: preface. International Journal of Quantum Chemistry. Hoboken: John Wiley & Sons. Disponível em: http://www3.interscience.wiley.com/cgi-bin/fulltext/120751498/PDFSTART. Acesso em: 29 maio 2024. , 2008
APA
Canuto, S., & Bielchowsky, C. E. (2008). Proceedings of the XIV Brazilian Symposium of Theoretical Chemistry: preface. International Journal of Quantum Chemistry. Hoboken: John Wiley & Sons. Recuperado de http://www3.interscience.wiley.com/cgi-bin/fulltext/120751498/PDFSTART
NLM
Canuto S, Bielchowsky CE. Proceedings of the XIV Brazilian Symposium of Theoretical Chemistry: preface [Internet]. International Journal of Quantum Chemistry. 2008 ; 108( 13): 2305.[citado 2024 maio 29 ] Available from: http://www3.interscience.wiley.com/cgi-bin/fulltext/120751498/PDFSTART
Vancouver
Canuto S, Bielchowsky CE. Proceedings of the XIV Brazilian Symposium of Theoretical Chemistry: preface [Internet]. International Journal of Quantum Chemistry. 2008 ; 108( 13): 2305.[citado 2024 maio 29 ] Available from: http://www3.interscience.wiley.com/cgi-bin/fulltext/120751498/PDFSTART
Artigo de periodico
Analyzing the n->``pi´ POT.*´ electronic transition of formaldehyde in water. a sequential Monte Carlo/time-dependent density functional theory: correction (2008)
Malaspina, Thaciana; Coutinho, Kaline Rabelo; Canuto, Sylvio
Source: Journal of the Brazilian Chemical Society. Unidade: IF
Assunto: MECÂNICA QUÂNTICA
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MALASPINA, Thaciana e COUTINHO, Kaline Rabelo e CANUTO, Sylvio. Analyzing the n->``pi´ POT.*´ electronic transition of formaldehyde in water. a sequential Monte Carlo/time-dependent density functional theory: correction. Journal of the Brazilian Chemical Society, v. 19, n. 6, p. 1238, 2008Tradução . . Disponível em: http://www.scielo.br/pdf/jbchs/v19n6/a28v19n6.pdf. Acesso em: 29 maio 2024.
APA
Malaspina, T., Coutinho, K. R., & Canuto, S. (2008). Analyzing the n->``pi´ POT.*´ electronic transition of formaldehyde in water. a sequential Monte Carlo/time-dependent density functional theory: correction. Journal of the Brazilian Chemical Society, 19( 6), 1238. Recuperado de http://www.scielo.br/pdf/jbchs/v19n6/a28v19n6.pdf
NLM
Malaspina T, Coutinho KR, Canuto S. Analyzing the n->``pi´ POT.*´ electronic transition of formaldehyde in water. a sequential Monte Carlo/time-dependent density functional theory: correction [Internet]. Journal of the Brazilian Chemical Society. 2008 ; 19( 6): 1238.[citado 2024 maio 29 ] Available from: http://www.scielo.br/pdf/jbchs/v19n6/a28v19n6.pdf
Vancouver
Malaspina T, Coutinho KR, Canuto S. Analyzing the n->``pi´ POT.*´ electronic transition of formaldehyde in water. a sequential Monte Carlo/time-dependent density functional theory: correction [Internet]. Journal of the Brazilian Chemical Society. 2008 ; 19( 6): 1238.[citado 2024 maio 29 ] Available from: http://www.scielo.br/pdf/jbchs/v19n6/a28v19n6.pdf
Artigo de periodico
The isotropic nuclear magnetic shielding constants of acetone in supercritical water: a sequential Monte Carlo/quantum mechanics study including solute polarization (2008)
Fonseca, Tertius L; Coutinho, Kaline Rabelo; Canuto, Sylvio
Source: Journal of Chemical Physics. Unidade: IF
Assunto: MÉTODO DE MONTE CARLO
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FONSECA, Tertius L e COUTINHO, Kaline Rabelo e CANUTO, Sylvio. The isotropic nuclear magnetic shielding constants of acetone in supercritical water: a sequential Monte Carlo/quantum mechanics study including solute polarization. Journal of Chemical Physics, v. 128, n. 1, p. 034502/1-034502/9, 2008Tradução . . Disponível em: https://doi.org/10.1063/1.2951995. Acesso em: 29 maio 2024.
APA
Fonseca, T. L., Coutinho, K. R., & Canuto, S. (2008). The isotropic nuclear magnetic shielding constants of acetone in supercritical water: a sequential Monte Carlo/quantum mechanics study including solute polarization. Journal of Chemical Physics, 128( 1), 034502/1-034502/9. doi:10.1063/1.2951995
NLM
Fonseca TL, Coutinho KR, Canuto S. The isotropic nuclear magnetic shielding constants of acetone in supercritical water: a sequential Monte Carlo/quantum mechanics study including solute polarization [Internet]. Journal of Chemical Physics. 2008 ; 128( 1): 034502/1-034502/9.[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.2951995
Vancouver
Fonseca TL, Coutinho KR, Canuto S. The isotropic nuclear magnetic shielding constants of acetone in supercritical water: a sequential Monte Carlo/quantum mechanics study including solute polarization [Internet]. Journal of Chemical Physics. 2008 ; 128( 1): 034502/1-034502/9.[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.2951995
Artigo de periodico
Analyzing the n->``pi´ POT.*´ electronic transition of formaldehyde in water. a sequential Monte Carlo/time-dependent density functional theory (2008)
Malaspina, Thaciana; Coutinho, Kaline Rabelo; Canuto, Sylvio
Source: Journal of the Brazilian Chemical Society. Unidade: IF
Assunto: MECÂNICA QUÂNTICA
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MALASPINA, Thaciana e COUTINHO, Kaline Rabelo e CANUTO, Sylvio. Analyzing the n->``pi´ POT.*´ electronic transition of formaldehyde in water. a sequential Monte Carlo/time-dependent density functional theory. Journal of the Brazilian Chemical Society, v. 19, n. 2, p. 305-311, 2008Tradução . . Disponível em: http://www.scielo.br/pdf/jbchs/v19n2/a17v19n2.pdf. Acesso em: 29 maio 2024.
APA
Malaspina, T., Coutinho, K. R., & Canuto, S. (2008). Analyzing the n->``pi´ POT.*´ electronic transition of formaldehyde in water. a sequential Monte Carlo/time-dependent density functional theory. Journal of the Brazilian Chemical Society, 19( 2), 305-311. Recuperado de http://www.scielo.br/pdf/jbchs/v19n2/a17v19n2.pdf
NLM
Malaspina T, Coutinho KR, Canuto S. Analyzing the n->``pi´ POT.*´ electronic transition of formaldehyde in water. a sequential Monte Carlo/time-dependent density functional theory [Internet]. Journal of the Brazilian Chemical Society. 2008 ; 19( 2): 305-311.[citado 2024 maio 29 ] Available from: http://www.scielo.br/pdf/jbchs/v19n2/a17v19n2.pdf
Vancouver
Malaspina T, Coutinho KR, Canuto S. Analyzing the n->``pi´ POT.*´ electronic transition of formaldehyde in water. a sequential Monte Carlo/time-dependent density functional theory [Internet]. Journal of the Brazilian Chemical Society. 2008 ; 19( 2): 305-311.[citado 2024 maio 29 ] Available from: http://www.scielo.br/pdf/jbchs/v19n2/a17v19n2.pdf
Artigo de periodico
2-Aminopurine non-radiative decay and emission in aqueous solution: a theoretical study (2008)
Ludwig, Valdemir; Amaral, Marcos Serrou do; Costa, Zelia Maria da; Borin, Antonio Carlos ; Canuto, Sylvio; Serrano-Andrés, Luis
Source: Chemical Physics Letters. Unidades: IQ, IF
Assunto: MÉTODO DE MONTE CARLO
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LUDWIG, Valdemir et al. 2-Aminopurine non-radiative decay and emission in aqueous solution: a theoretical study. Chemical Physics Letters, v. 463, n. 1-3, p. 201-205, 2008Tradução . . Disponível em: https://doi.org/10.1016/j.cplett.2008.08.031. Acesso em: 29 maio 2024.
APA
Ludwig, V., Amaral, M. S. do, Costa, Z. M. da, Borin, A. C., Canuto, S., & Serrano-Andrés, L. (2008). 2-Aminopurine non-radiative decay and emission in aqueous solution: a theoretical study. Chemical Physics Letters, 463( 1-3), 201-205. doi:10.1016/j.cplett.2008.08.031
NLM
Ludwig V, Amaral MS do, Costa ZM da, Borin AC, Canuto S, Serrano-Andrés L. 2-Aminopurine non-radiative decay and emission in aqueous solution: a theoretical study [Internet]. Chemical Physics Letters. 2008 ; 463( 1-3): 201-205.[citado 2024 maio 29 ] Available from: https://doi.org/10.1016/j.cplett.2008.08.031
Vancouver
Ludwig V, Amaral MS do, Costa ZM da, Borin AC, Canuto S, Serrano-Andrés L. 2-Aminopurine non-radiative decay and emission in aqueous solution: a theoretical study [Internet]. Chemical Physics Letters. 2008 ; 463( 1-3): 201-205.[citado 2024 maio 29 ] Available from: https://doi.org/10.1016/j.cplett.2008.08.031
Artigo de periodico
A Monte Carlo-quantum mechanics study of the lowest n-`pi´* and `pi´-`pi´* states of uracil in water (2007)
Ludwig, Valdemir; Coutinho, Kaline Rabelo; Canuto, Sylvio
Source: Physical Chemistry Chemical Physics. Unidade: IF
Subjects: MÉTODO DE MONTE CARLO, ESPECTROSCOPIA
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ABNT
LUDWIG, Valdemir e COUTINHO, Kaline Rabelo e CANUTO, Sylvio. A Monte Carlo-quantum mechanics study of the lowest n-`pi´* and `pi´-`pi´* states of uracil in water. Physical Chemistry Chemical Physics, v. 9, n. 35 p. 1409-1412, 2007Tradução . . Disponível em: http://www.rsc.org/ej/CP/2007/b704335j.pdf. Acesso em: 29 maio 2024.
APA
Ludwig, V., Coutinho, K. R., & Canuto, S. (2007). A Monte Carlo-quantum mechanics study of the lowest n-`pi´* and `pi´-`pi´* states of uracil in water. Physical Chemistry Chemical Physics, 9( 35 p. 1409-1412). Recuperado de http://www.rsc.org/ej/CP/2007/b704335j.pdf
NLM
Ludwig V, Coutinho KR, Canuto S. A Monte Carlo-quantum mechanics study of the lowest n-`pi´* and `pi´-`pi´* states of uracil in water [Internet]. Physical Chemistry Chemical Physics. 2007 ; 9( 35 p. 1409-1412):[citado 2024 maio 29 ] Available from: http://www.rsc.org/ej/CP/2007/b704335j.pdf
Vancouver
Ludwig V, Coutinho KR, Canuto S. A Monte Carlo-quantum mechanics study of the lowest n-`pi´* and `pi´-`pi´* states of uracil in water [Internet]. Physical Chemistry Chemical Physics. 2007 ; 9( 35 p. 1409-1412):[citado 2024 maio 29 ] Available from: http://www.rsc.org/ej/CP/2007/b704335j.pdf
Artigo de periodico
On the relative abundance and interconversion of the two lowest isomers of `AIP IND.3´ (2007)
Malaspina, Thaciana; Canuto, Sylvio
Source: Chemical Physics Letters. Unidade: IF
Assunto: ESTRUTURA ELETRÔNICA
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MALASPINA, Thaciana e CANUTO, Sylvio. On the relative abundance and interconversion of the two lowest isomers of `AIP IND.3´. Chemical Physics Letters, v. 444, n. 4-6, p. 247-251, 2007Tradução . . Disponível em: http://www.sciencedirect.com/science/journal/00092614. Acesso em: 29 maio 2024.
APA
Malaspina, T., & Canuto, S. (2007). On the relative abundance and interconversion of the two lowest isomers of `AIP IND.3´. Chemical Physics Letters, 444( 4-6), 247-251. Recuperado de http://www.sciencedirect.com/science/journal/00092614
NLM
Malaspina T, Canuto S. On the relative abundance and interconversion of the two lowest isomers of `AIP IND.3´ [Internet]. Chemical Physics Letters. 2007 ; 444( 4-6): 247-251.[citado 2024 maio 29 ] Available from: http://www.sciencedirect.com/science/journal/00092614
Vancouver
Malaspina T, Canuto S. On the relative abundance and interconversion of the two lowest isomers of `AIP IND.3´ [Internet]. Chemical Physics Letters. 2007 ; 444( 4-6): 247-251.[citado 2024 maio 29 ] Available from: http://www.sciencedirect.com/science/journal/00092614
Artigo de periodico
Reply to comment on 'The enthalpy of the O-H bond homolytic dissociation: basis-set extrapolated density functionaltheory and coupled cluster calculations (2006)
Cabral, B J C; Canuto, Sylvio
Source: Chemical Physics Lettes. Unidade: IF
Subjects: FÍSICO-QUÍMICA, GRAVIMETRIA
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ABNT
CABRAL, B J C e CANUTO, Sylvio. Reply to comment on 'The enthalpy of the O-H bond homolytic dissociation: basis-set extrapolated density functionaltheory and coupled cluster calculations. Chemical Physics Lettes, v. 417, n. 4-6, p. 570-572, 2006Tradução . . Disponível em: https://doi.org/10.1016/j.cplett.2005.09.140. Acesso em: 29 maio 2024.
APA
Cabral, B. J. C., & Canuto, S. (2006). Reply to comment on 'The enthalpy of the O-H bond homolytic dissociation: basis-set extrapolated density functionaltheory and coupled cluster calculations. Chemical Physics Lettes, 417( 4-6), 570-572. doi:10.1016/j.cplett.2005.09.140
NLM
Cabral BJC, Canuto S. Reply to comment on 'The enthalpy of the O-H bond homolytic dissociation: basis-set extrapolated density functionaltheory and coupled cluster calculations [Internet]. Chemical Physics Lettes. 2006 ; 417( 4-6): 570-572.[citado 2024 maio 29 ] Available from: https://doi.org/10.1016/j.cplett.2005.09.140
Vancouver
Cabral BJC, Canuto S. Reply to comment on 'The enthalpy of the O-H bond homolytic dissociation: basis-set extrapolated density functionaltheory and coupled cluster calculations [Internet]. Chemical Physics Lettes. 2006 ; 417( 4-6): 570-572.[citado 2024 maio 29 ] Available from: https://doi.org/10.1016/j.cplett.2005.09.140
Artigo de periodico
Electron binding energies of water clusters: implications for the electronic properties of liquid water (2006)
do Couto, Paulo Cabral; Cabral, Benedito J Costa; Canuto, Sylvio
Source: Chemical Physics Letters. Unidade: IF
Subjects: MÉTODO DE MONTE CARLO, MECÂNICA QUÂNTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
DO COUTO, Paulo Cabral e CABRAL, Benedito J Costa e CANUTO, Sylvio. Electron binding energies of water clusters: implications for the electronic properties of liquid water. Chemical Physics Letters, v. 429, n. 1-3, p. 129-135, 2006Tradução . . Disponível em: https://doi.org/10.1016/j.cplett.2006.08.046. Acesso em: 29 maio 2024.
APA
do Couto, P. C., Cabral, B. J. C., & Canuto, S. (2006). Electron binding energies of water clusters: implications for the electronic properties of liquid water. Chemical Physics Letters, 429( 1-3), 129-135. doi:10.1016/j.cplett.2006.08.046
NLM
do Couto PC, Cabral BJC, Canuto S. Electron binding energies of water clusters: implications for the electronic properties of liquid water [Internet]. Chemical Physics Letters. 2006 ; 429( 1-3): 129-135.[citado 2024 maio 29 ] Available from: https://doi.org/10.1016/j.cplett.2006.08.046
Vancouver
do Couto PC, Cabral BJC, Canuto S. Electron binding energies of water clusters: implications for the electronic properties of liquid water [Internet]. Chemical Physics Letters. 2006 ; 429( 1-3): 129-135.[citado 2024 maio 29 ] Available from: https://doi.org/10.1016/j.cplett.2006.08.046
Artigo de periodico
Proceedings of the XIII Brazilian Symposium of Theoretical Chemistry: Preface (2006)
Canuto, Sylvio; Gama, Alfredo Arnóbio da
Source: International Journal of Quantum Chemistry. Unidade: IF
Subjects: QUÍMICA TEÓRICA, FÍSICO-QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
CANUTO, Sylvio e GAMA, Alfredo Arnóbio da. Proceedings of the XIII Brazilian Symposium of Theoretical Chemistry: Preface. International Journal of Quantum Chemistry, v. 106, n. 13, p. 1, 2006Tradução . . Disponível em: http://www3.interscience.wiley.com/cgi-bin/fulltext/112655464/PDFSTART. Acesso em: 29 maio 2024.
APA
Canuto, S., & Gama, A. A. da. (2006). Proceedings of the XIII Brazilian Symposium of Theoretical Chemistry: Preface. International Journal of Quantum Chemistry, 106( 13), 1. Recuperado de http://www3.interscience.wiley.com/cgi-bin/fulltext/112655464/PDFSTART
NLM
Canuto S, Gama AA da. Proceedings of the XIII Brazilian Symposium of Theoretical Chemistry: Preface [Internet]. International Journal of Quantum Chemistry. 2006 ; 106( 13): 1.[citado 2024 maio 29 ] Available from: http://www3.interscience.wiley.com/cgi-bin/fulltext/112655464/PDFSTART
Vancouver
Canuto S, Gama AA da. Proceedings of the XIII Brazilian Symposium of Theoretical Chemistry: Preface [Internet]. International Journal of Quantum Chemistry. 2006 ; 106( 13): 1.[citado 2024 maio 29 ] Available from: http://www3.interscience.wiley.com/cgi-bin/fulltext/112655464/PDFSTART
Artigo de periodico
Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution: a combined Monte Carlo and quantum mechanics study (2006)
Lima, Maria Carolina P; Coutinho, Kaline Rabelo; Canuto, Sylvio; Rocha, William R
Source: Journal of Physical Chemistry A. Unidade: IF
Subjects: FÍSICO-QUÍMICA, MÉTODO DE MONTE CARLO, MÉTODOS MCMC
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
LIMA, Maria Carolina P et al. Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution: a combined Monte Carlo and quantum mechanics study. Journal of Physical Chemistry A, v. 110, n. 22, p. 7253-7261, 2006Tradução . . Disponível em: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2006/110/i22/pdf/jp060821b.pdf. Acesso em: 29 maio 2024.
APA
Lima, M. C. P., Coutinho, K. R., Canuto, S., & Rocha, W. R. (2006). Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution: a combined Monte Carlo and quantum mechanics study. Journal of Physical Chemistry A, 110( 22), 7253-7261. Recuperado de http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2006/110/i22/pdf/jp060821b.pdf
NLM
Lima MCP, Coutinho KR, Canuto S, Rocha WR. Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution: a combined Monte Carlo and quantum mechanics study [Internet]. Journal of Physical Chemistry A. 2006 ; 110( 22): 7253-7261.[citado 2024 maio 29 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2006/110/i22/pdf/jp060821b.pdf
Vancouver
Lima MCP, Coutinho KR, Canuto S, Rocha WR. Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution: a combined Monte Carlo and quantum mechanics study [Internet]. Journal of Physical Chemistry A. 2006 ; 110( 22): 7253-7261.[citado 2024 maio 29 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2006/110/i22/pdf/jp060821b.pdf
Artigo de periodico
Theoretical electronic spectra of 2- Aminopurine in vapor and in water (2006)
Borin, Antonio Carlos ; Serrano-Andrés, Luis; Ludwig, Valdemir; Coutinho, Kaline Rabelo; Canuto, Sylvio
Source: International Journal of Quantum Chemistry. Unidades: IQ, IF
Subjects: QUÍMICA TEÓRICA, FÍSICO-QUÍMICA, QUÍMICA QUÂNTICA, MÉTODO DE MONTE CARLO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
BORIN, Antonio Carlos et al. Theoretical electronic spectra of 2- Aminopurine in vapor and in water. International Journal of Quantum Chemistry, v. 106, n. 13, p. 2564-2577, 2006Tradução . . Disponível em: https://doi.org/10.1002/qua.20967. Acesso em: 29 maio 2024.
APA
Borin, A. C., Serrano-Andrés, L., Ludwig, V., Coutinho, K. R., & Canuto, S. (2006). Theoretical electronic spectra of 2- Aminopurine in vapor and in water. International Journal of Quantum Chemistry, 106( 13), 2564-2577. doi:10.1002/qua.20967
NLM
Borin AC, Serrano-Andrés L, Ludwig V, Coutinho KR, Canuto S. Theoretical electronic spectra of 2- Aminopurine in vapor and in water [Internet]. International Journal of Quantum Chemistry. 2006 ; 106( 13): 2564-2577.[citado 2024 maio 29 ] Available from: https://doi.org/10.1002/qua.20967
Vancouver
Borin AC, Serrano-Andrés L, Ludwig V, Coutinho KR, Canuto S. Theoretical electronic spectra of 2- Aminopurine in vapor and in water [Internet]. International Journal of Quantum Chemistry. 2006 ; 106( 13): 2564-2577.[citado 2024 maio 29 ] Available from: https://doi.org/10.1002/qua.20967

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