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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: 25 jun. 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 jun. 25 ] 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 jun. 25 ] Available from: https://doi.org/10.1002/jcc.21491
Artigo de periodico
Combined Monte Carlo and quantum mechanics study of the hydration of the guanine-cytosine base pair (2004)
Coutinho, Kaline Rabelo; Ludwig, Valdemir; Canuto, Sylvio
Source: Physical Review E. Unidade: IF
Subjects: MATÉRIA CONDENSADA (SIMULAÇÃO COMPUTACIONAL), MÉTODO DE MONTE CARLO, MECÂNICA QUÂNTICA
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COUTINHO, Kaline Rabelo e LUDWIG, Valdemir e CANUTO, Sylvio. Combined Monte Carlo and quantum mechanics study of the hydration of the guanine-cytosine base pair. Physical Review E, 2004Tradução . . Disponível em: https://doi.org/10.1103/physreve.69.061902. Acesso em: 25 jun. 2024.
APA
Coutinho, K. R., Ludwig, V., & Canuto, S. (2004). Combined Monte Carlo and quantum mechanics study of the hydration of the guanine-cytosine base pair. Physical Review E. doi:10.1103/physreve.69.061902
NLM
Coutinho KR, Ludwig V, Canuto S. Combined Monte Carlo and quantum mechanics study of the hydration of the guanine-cytosine base pair [Internet]. Physical Review E. 2004 ;[citado 2024 jun. 25 ] Available from: https://doi.org/10.1103/physreve.69.061902
Vancouver
Coutinho KR, Ludwig V, Canuto S. Combined Monte Carlo and quantum mechanics study of the hydration of the guanine-cytosine base pair [Internet]. Physical Review E. 2004 ;[citado 2024 jun. 25 ] Available from: https://doi.org/10.1103/physreve.69.061902
Artigo de periodico
Conformational stability of furfural in aqueous solution: the role of hydrogen bonding (2004)
Rivelino, R; Canuto, Sylvio; Coutinho, Kaline Rabelo
Source: Brazilian Journal of Physics. Unidade: IF
Subjects: MECÂNICA QUÂNTICA, MÉTODO DE MONTE CARLO, TERMODINÂMICA
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RIVELINO, R e CANUTO, Sylvio e COUTINHO, Kaline Rabelo. Conformational stability of furfural in aqueous solution: the role of hydrogen bonding. Brazilian Journal of Physics, 2004Tradução . . Disponível em: https://doi.org/10.1590/s0103-97332004000100012. Acesso em: 25 jun. 2024.
APA
Rivelino, R., Canuto, S., & Coutinho, K. R. (2004). Conformational stability of furfural in aqueous solution: the role of hydrogen bonding. Brazilian Journal of Physics. doi:10.1590/s0103-97332004000100012
NLM
Rivelino R, Canuto S, Coutinho KR. Conformational stability of furfural in aqueous solution: the role of hydrogen bonding [Internet]. Brazilian Journal of Physics. 2004 ;[citado 2024 jun. 25 ] Available from: https://doi.org/10.1590/s0103-97332004000100012
Vancouver
Rivelino R, Canuto S, Coutinho KR. Conformational stability of furfural in aqueous solution: the role of hydrogen bonding [Internet]. Brazilian Journal of Physics. 2004 ;[citado 2024 jun. 25 ] Available from: https://doi.org/10.1590/s0103-97332004000100012
Artigo de periodico
Solute relaxation on the solvatochromism of ortho-betaine dyes: a sequential Monte Carlo/quantum mechanics study (2004)
Hernandes, Marcelo Zaldini; Longo, Ricardo; Coutinho, Kaline Rabelo; Canuto, Sylvio
Source: Chemical Physics. Unidade: IF
Subjects: MECÂNICA QUÂNTICA, MÉTODO DE MONTE CARLO, FÍSICO-QUÍMICA
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HERNANDES, Marcelo Zaldini et al. Solute relaxation on the solvatochromism of ortho-betaine dyes: a sequential Monte Carlo/quantum mechanics study. Chemical Physics, 2004Tradução . . Disponível em: https://doi.org/10.1039/b315806c. Acesso em: 25 jun. 2024.
APA
Hernandes, M. Z., Longo, R., Coutinho, K. R., & Canuto, S. (2004). Solute relaxation on the solvatochromism of ortho-betaine dyes: a sequential Monte Carlo/quantum mechanics study. Chemical Physics. doi:10.1039/b315806c
NLM
Hernandes MZ, Longo R, Coutinho KR, Canuto S. Solute relaxation on the solvatochromism of ortho-betaine dyes: a sequential Monte Carlo/quantum mechanics study [Internet]. Chemical Physics. 2004 ;[citado 2024 jun. 25 ] Available from: https://doi.org/10.1039/b315806c
Vancouver
Hernandes MZ, Longo R, Coutinho KR, Canuto S. Solute relaxation on the solvatochromism of ortho-betaine dyes: a sequential Monte Carlo/quantum mechanics study [Internet]. Chemical Physics. 2004 ;[citado 2024 jun. 25 ] Available from: https://doi.org/10.1039/b315806c
Artigo de periodico
Manipulation of anchoring strength in an azo-dye side chain polymer by photoisomerization (2003)
Thieghi, Leila Thomazelli; Barberi, R; Bonvent, J J; Oliveira, Elisabeth Andreoli de; Giacometti, J A; Balogh, Débora Terezia
Source: Physical Review E. Unidades: IF, IFSC
Assunto: CRISTAIS LÍQUIDOS
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THIEGHI, Leila Thomazelli et al. Manipulation of anchoring strength in an azo-dye side chain polymer by photoisomerization. Physical Review E, v. 67, n. 4, p. 041701-1-041701-6, 2003Tradução . . Disponível em: https://doi.org/10.1103/physreve.67.041701. Acesso em: 25 jun. 2024.
APA
Thieghi, L. T., Barberi, R., Bonvent, J. J., Oliveira, E. A. de, Giacometti, J. A., & Balogh, D. T. (2003). Manipulation of anchoring strength in an azo-dye side chain polymer by photoisomerization. Physical Review E, 67( 4), 041701-1-041701-6. doi:10.1103/physreve.67.041701
NLM
Thieghi LT, Barberi R, Bonvent JJ, Oliveira EA de, Giacometti JA, Balogh DT. Manipulation of anchoring strength in an azo-dye side chain polymer by photoisomerization [Internet]. Physical Review E. 2003 ; 67( 4): 041701-1-041701-6.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1103/physreve.67.041701
Vancouver
Thieghi LT, Barberi R, Bonvent JJ, Oliveira EA de, Giacometti JA, Balogh DT. Manipulation of anchoring strength in an azo-dye side chain polymer by photoisomerization [Internet]. Physical Review E. 2003 ; 67( 4): 041701-1-041701-6.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1103/physreve.67.041701
Artigo de periodico
Rubbing-induced charge domains observed by electrostatic force microscopy: effect on liquid crystal alignment (2003)
Bechtold, I H; Santo, M P de; Bovent, J J; Oliveira, Elisabeth Andreoli de; Barberi, R; Rasing, Th
Source: Liquid Crystals. Unidade: IF
Subjects: CRISTAIS LÍQUIDOS, FILMES FINOS
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BECHTOLD, I H et al. Rubbing-induced charge domains observed by electrostatic force microscopy: effect on liquid crystal alignment. Liquid Crystals, v. 30, n. 5, p. 591-598, 2003Tradução . . Disponível em: https://doi.org/10.1080/0267829031000094829. Acesso em: 25 jun. 2024.
APA
Bechtold, I. H., Santo, M. P. de, Bovent, J. J., Oliveira, E. A. de, Barberi, R., & Rasing, T. (2003). Rubbing-induced charge domains observed by electrostatic force microscopy: effect on liquid crystal alignment. Liquid Crystals, 30( 5), 591-598. doi:10.1080/0267829031000094829
NLM
Bechtold IH, Santo MP de, Bovent JJ, Oliveira EA de, Barberi R, Rasing T. Rubbing-induced charge domains observed by electrostatic force microscopy: effect on liquid crystal alignment [Internet]. Liquid Crystals. 2003 ; 30( 5): 591-598.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1080/0267829031000094829
Vancouver
Bechtold IH, Santo MP de, Bovent JJ, Oliveira EA de, Barberi R, Rasing T. Rubbing-induced charge domains observed by electrostatic force microscopy: effect on liquid crystal alignment [Internet]. Liquid Crystals. 2003 ; 30( 5): 591-598.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1080/0267829031000094829
Artigo de periodico
Surface treatments for lyotropic liquid crystals alignment (2003)
Bechtold, I H; Vega, M L; Oliveira, Elisabeth Andreoli de; Bonvent, J
Source: Molecular Crystals and Liquid Crystals. Unidade: IF
Subjects: CRISTAIS LÍQUIDOS, DIFRAÇÃO POR RAIOS X
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ABNT
BECHTOLD, I H et al. Surface treatments for lyotropic liquid crystals alignment. Molecular Crystals and Liquid Crystals, v. 391, p. 95-110, 2003Tradução . . Acesso em: 25 jun. 2024.
APA
Bechtold, I. H., Vega, M. L., Oliveira, E. A. de, & Bonvent, J. (2003). Surface treatments for lyotropic liquid crystals alignment. Molecular Crystals and Liquid Crystals, 391, 95-110.
NLM
Bechtold IH, Vega ML, Oliveira EA de, Bonvent J. Surface treatments for lyotropic liquid crystals alignment. Molecular Crystals and Liquid Crystals. 2003 ; 391 95-110.[citado 2024 jun. 25 ]
Vancouver
Bechtold IH, Vega ML, Oliveira EA de, Bonvent J. Surface treatments for lyotropic liquid crystals alignment. Molecular Crystals and Liquid Crystals. 2003 ; 391 95-110.[citado 2024 jun. 25 ]
Artigo de periodico
Electronic polarization of liquid water: converged Monte-Carlo quantum mechanics results for the multipole moments (2003)
Coutinho, Kaline Rabelo; Guedes, R C; Cabral, B J Costa; Canuto, Sylvio
Source: Chemical Physics Letters. Unidade: IF
Subjects: MECÂNICA QUÂNTICA, MÉTODO DE MONTE CARLO, QUÍMICA QUÂNTICA
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COUTINHO, Kaline Rabelo et al. Electronic polarization of liquid water: converged Monte-Carlo quantum mechanics results for the multipole moments. Chemical Physics Letters, v. 369, n. 3-4, p. 345-353, 2003Tradução . . Disponível em: https://doi.org/10.1016/s0009-2614(02)02026-2. Acesso em: 25 jun. 2024.
APA
Coutinho, K. R., Guedes, R. C., Cabral, B. J. C., & Canuto, S. (2003). Electronic polarization of liquid water: converged Monte-Carlo quantum mechanics results for the multipole moments. Chemical Physics Letters, 369( 3-4), 345-353. doi:10.1016/s0009-2614(02)02026-2
NLM
Coutinho KR, Guedes RC, Cabral BJC, Canuto S. Electronic polarization of liquid water: converged Monte-Carlo quantum mechanics results for the multipole moments [Internet]. Chemical Physics Letters. 2003 ; 369( 3-4): 345-353.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1016/s0009-2614(02)02026-2
Vancouver
Coutinho KR, Guedes RC, Cabral BJC, Canuto S. Electronic polarization of liquid water: converged Monte-Carlo quantum mechanics results for the multipole moments [Internet]. Chemical Physics Letters. 2003 ; 369( 3-4): 345-353.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1016/s0009-2614(02)02026-2
Artigo de periodico
Electronic changes due to thermal disorder of hydrogen bonds in liquids: pyridine in an aqueous environment (2003)
Fileti, Eudes Eterno; Coutinho, Kaline Rabelo; Canuto, Sylvio
Source: Physical Review E. Unidade: IF
Subjects: MÉTODO DE MONTE CARLO, MECÂNICA QUÂNTICA
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ABNT
FILETI, Eudes Eterno e COUTINHO, Kaline Rabelo e CANUTO, Sylvio. Electronic changes due to thermal disorder of hydrogen bonds in liquids: pyridine in an aqueous environment. Physical Review E, v. 67, n. 6, p. 061504/1-061504/7, 2003Tradução . . Disponível em: https://doi.org/10.1103/physreve.67.061504. Acesso em: 25 jun. 2024.
APA
Fileti, E. E., Coutinho, K. R., & Canuto, S. (2003). Electronic changes due to thermal disorder of hydrogen bonds in liquids: pyridine in an aqueous environment. Physical Review E, 67( 6), 061504/1-061504/7. doi:10.1103/physreve.67.061504
NLM
Fileti EE, Coutinho KR, Canuto S. Electronic changes due to thermal disorder of hydrogen bonds in liquids: pyridine in an aqueous environment [Internet]. Physical Review E. 2003 ; 67( 6): 061504/1-061504/7.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1103/physreve.67.061504
Vancouver
Fileti EE, Coutinho KR, Canuto S. Electronic changes due to thermal disorder of hydrogen bonds in liquids: pyridine in an aqueous environment [Internet]. Physical Review E. 2003 ; 67( 6): 061504/1-061504/7.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1103/physreve.67.061504
Artigo de periodico
Differential hydration of phenol and phenoxy radical and the energetics of the phenol O-H bond in solution (2003)
Guedes, R C; Coutinho, Kaline Rabelo; Cabral, B J Costa; Canuto, Sylvio
Source: Journal of Physical Chemistry B. Unidade: IF
Subjects: TERMODINÂMICA (FÍSICO-QUÍMICA), MÉTODO DE MONTE CARLO
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ABNT
GUEDES, R C et al. Differential hydration of phenol and phenoxy radical and the energetics of the phenol O-H bond in solution. Journal of Physical Chemistry B, v. 107, n. 18, p. 4304-4310, 2003Tradução . . Disponível em: http://pubs.acs.org/cgi-bin/article.cgi/jpcbfk/2003/107/i18/pdf/jp0219449.pdf. Acesso em: 25 jun. 2024.
APA
Guedes, R. C., Coutinho, K. R., Cabral, B. J. C., & Canuto, S. (2003). Differential hydration of phenol and phenoxy radical and the energetics of the phenol O-H bond in solution. Journal of Physical Chemistry B, 107( 18), 4304-4310. Recuperado de http://pubs.acs.org/cgi-bin/article.cgi/jpcbfk/2003/107/i18/pdf/jp0219449.pdf
NLM
Guedes RC, Coutinho KR, Cabral BJC, Canuto S. Differential hydration of phenol and phenoxy radical and the energetics of the phenol O-H bond in solution [Internet]. Journal of Physical Chemistry B. 2003 ; 107( 18): 4304-4310.[citado 2024 jun. 25 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcbfk/2003/107/i18/pdf/jp0219449.pdf
Vancouver
Guedes RC, Coutinho KR, Cabral BJC, Canuto S. Differential hydration of phenol and phenoxy radical and the energetics of the phenol O-H bond in solution [Internet]. Journal of Physical Chemistry B. 2003 ; 107( 18): 4304-4310.[citado 2024 jun. 25 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcbfk/2003/107/i18/pdf/jp0219449.pdf
Artigo de periodico
Differential hydration of phenol and phenoxy radical and the energetics of the phenol O-H bond in solution (2003)
Guedes, R C; Coutinho, Kaline Rabelo; Cabral, B J Costa
Source: Journal of Physical Chemistry B. Unidade: IF
Subjects: MECÂNICA QUÂNTICA, MÉTODO DE MONTE CARLO, TERMODINÂMICA
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ABNT
GUEDES, R C e COUTINHO, Kaline Rabelo e CABRAL, B J Costa. Differential hydration of phenol and phenoxy radical and the energetics of the phenol O-H bond in solution. Journal of Physical Chemistry B, v. 107. n. 18, p. 4304-4310, 2003Tradução . . Disponível em: http://pubs.acs.org/cgi-bin/article.cgi/jpcbfk/2003/107/i18/pdf/jp0219449.pdf. Acesso em: 25 jun. 2024.
APA
Guedes, R. C., Coutinho, K. R., & Cabral, B. J. C. (2003). Differential hydration of phenol and phenoxy radical and the energetics of the phenol O-H bond in solution. Journal of Physical Chemistry B, 107. n. 18, 4304-4310. Recuperado de http://pubs.acs.org/cgi-bin/article.cgi/jpcbfk/2003/107/i18/pdf/jp0219449.pdf
NLM
Guedes RC, Coutinho KR, Cabral BJC. Differential hydration of phenol and phenoxy radical and the energetics of the phenol O-H bond in solution [Internet]. Journal of Physical Chemistry B. 2003 ; 107. n. 18 4304-4310.[citado 2024 jun. 25 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcbfk/2003/107/i18/pdf/jp0219449.pdf
Vancouver
Guedes RC, Coutinho KR, Cabral BJC. Differential hydration of phenol and phenoxy radical and the energetics of the phenol O-H bond in solution [Internet]. Journal of Physical Chemistry B. 2003 ; 107. n. 18 4304-4310.[citado 2024 jun. 25 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcbfk/2003/107/i18/pdf/jp0219449.pdf
Artigo de periodico
Solvente effects on the electronics absorption spectrum of formamide studied by a sequential Monte Carlo/quantum mechanical approach (2002)
Rocha, W R; Martins, V M; Coutinho, Kaline Rabelo; Canuto, Sylvio
Source: Theoretical Chemistry Accounts. Unidade: IF
Subjects: MÉTODO DE MONTE CARLO, MECÂNICA QUÂNTICA
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ABNT
ROCHA, W R et al. Solvente effects on the electronics absorption spectrum of formamide studied by a sequential Monte Carlo/quantum mechanical approach. Theoretical Chemistry Accounts, v. 108, n. 1, p. 31-37, 2002Tradução . . Disponível em: https://doi.org/10.1007/s00214-002-0353-y. Acesso em: 25 jun. 2024.
APA
Rocha, W. R., Martins, V. M., Coutinho, K. R., & Canuto, S. (2002). Solvente effects on the electronics absorption spectrum of formamide studied by a sequential Monte Carlo/quantum mechanical approach. Theoretical Chemistry Accounts, 108( 1), 31-37. doi:10.1007/s00214-002-0353-y
NLM
Rocha WR, Martins VM, Coutinho KR, Canuto S. Solvente effects on the electronics absorption spectrum of formamide studied by a sequential Monte Carlo/quantum mechanical approach [Internet]. Theoretical Chemistry Accounts. 2002 ; 108( 1): 31-37.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1007/s00214-002-0353-y
Vancouver
Rocha WR, Martins VM, Coutinho KR, Canuto S. Solvente effects on the electronics absorption spectrum of formamide studied by a sequential Monte Carlo/quantum mechanical approach [Internet]. Theoretical Chemistry Accounts. 2002 ; 108( 1): 31-37.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1007/s00214-002-0353-y
Artigo de periodico
A Monte carlo-quantum mechanics study of the solvent-induced spectral shift and the specific role of hydrogen bonds in the conformational equilibrium of furfural in water (2002)
Rivelino, Roberto; Coutinho, Kaline Rabelo; Canuto, Sylvio
Source: Journal of Physical Chemistry B. Unidade: IF
Subjects: MATÉRIA CONDENSADA, MÉTODO DE MONTE CARLO
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ABNT
RIVELINO, Roberto e COUTINHO, Kaline Rabelo e CANUTO, Sylvio. A Monte carlo-quantum mechanics study of the solvent-induced spectral shift and the specific role of hydrogen bonds in the conformational equilibrium of furfural in water. Journal of Physical Chemistry B, v. 106, p. 12317-12322, 2002Tradução . . Acesso em: 25 jun. 2024.
APA
Rivelino, R., Coutinho, K. R., & Canuto, S. (2002). A Monte carlo-quantum mechanics study of the solvent-induced spectral shift and the specific role of hydrogen bonds in the conformational equilibrium of furfural in water. Journal of Physical Chemistry B, 106, 12317-12322.
NLM
Rivelino R, Coutinho KR, Canuto S. A Monte carlo-quantum mechanics study of the solvent-induced spectral shift and the specific role of hydrogen bonds in the conformational equilibrium of furfural in water. Journal of Physical Chemistry B. 2002 ; 106 12317-12322.[citado 2024 jun. 25 ]
Vancouver
Rivelino R, Coutinho KR, Canuto S. A Monte carlo-quantum mechanics study of the solvent-induced spectral shift and the specific role of hydrogen bonds in the conformational equilibrium of furfural in water. Journal of Physical Chemistry B. 2002 ; 106 12317-12322.[citado 2024 jun. 25 ]
Artigo de periodico
Theoretical study of the hydrogen bond interaction between methylene blue and water and possible role on energy transfer for photodynamics (2002)
Quintão, Andrea Dias; Coutinho, Kaline Rabelo; Canuto, Sylvio
Source: International Journal of Quantum Chemistry. Unidade: IF
Subjects: FÍSICO-QUÍMICA, QUÍMICA TEÓRICA, QUÍMICA QUÂNTICA
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ABNT
QUINTÃO, Andrea Dias e COUTINHO, Kaline Rabelo e CANUTO, Sylvio. Theoretical study of the hydrogen bond interaction between methylene blue and water and possible role on energy transfer for photodynamics. International Journal of Quantum Chemistry, v. 90, n. 2, p. 634-640, 2002Tradução . . Disponível em: https://doi.org/10.1002/qua.10059. Acesso em: 25 jun. 2024.
APA
Quintão, A. D., Coutinho, K. R., & Canuto, S. (2002). Theoretical study of the hydrogen bond interaction between methylene blue and water and possible role on energy transfer for photodynamics. International Journal of Quantum Chemistry, 90( 2), 634-640. doi:10.1002/qua.10059
NLM
Quintão AD, Coutinho KR, Canuto S. Theoretical study of the hydrogen bond interaction between methylene blue and water and possible role on energy transfer for photodynamics [Internet]. International Journal of Quantum Chemistry. 2002 ; 90( 2): 634-640.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1002/qua.10059
Vancouver
Quintão AD, Coutinho KR, Canuto S. Theoretical study of the hydrogen bond interaction between methylene blue and water and possible role on energy transfer for photodynamics [Internet]. International Journal of Quantum Chemistry. 2002 ; 90( 2): 634-640.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1002/qua.10059
Artigo de periodico
Quantum mechanical studies of the spectroscopic properties of the E-64 protease inhibitor (2002)
Trzesniak, Daniel; Caires, A C F; Almeida, Paulo C; Canuto, Sylvio
Source: Journal of Molecular Structure (Theochem). Unidade: IF
Subjects: MECÂNICA QUÂNTICA, QUÍMICA QUÂNTICA
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ABNT
TRZESNIAK, Daniel et al. Quantum mechanical studies of the spectroscopic properties of the E-64 protease inhibitor. Journal of Molecular Structure (Theochem), v. 585, p. 129-141, 2002Tradução . . Disponível em: https://doi.org/10.1016/s0166-1280(02)00041-6. Acesso em: 25 jun. 2024.
APA
Trzesniak, D., Caires, A. C. F., Almeida, P. C., & Canuto, S. (2002). Quantum mechanical studies of the spectroscopic properties of the E-64 protease inhibitor. Journal of Molecular Structure (Theochem), 585, 129-141. doi:10.1016/s0166-1280(02)00041-6
NLM
Trzesniak D, Caires ACF, Almeida PC, Canuto S. Quantum mechanical studies of the spectroscopic properties of the E-64 protease inhibitor [Internet]. Journal of Molecular Structure (Theochem). 2002 ; 585 129-141.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1016/s0166-1280(02)00041-6
Vancouver
Trzesniak D, Caires ACF, Almeida PC, Canuto S. Quantum mechanical studies of the spectroscopic properties of the E-64 protease inhibitor [Internet]. Journal of Molecular Structure (Theochem). 2002 ; 585 129-141.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1016/s0166-1280(02)00041-6
Artigo de periodico
A Monte Carlo-quantum mechanics study of the spectroscopic properties of molecules in solution (2001)
Coutinho, Kaline Rabelo; Saavedra, N; Serrano, A; Canuto, Sylvio
Source: Journal of Molecular Structure-Theochem. Unidade: IF
Assunto: QUÍMICA
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ABNT
COUTINHO, Kaline Rabelo et al. A Monte Carlo-quantum mechanics study of the spectroscopic properties of molecules in solution. Journal of Molecular Structure-Theochem, v. 539, p. 171-179, 2001Tradução . . Disponível em: https://doi.org/10.1016/s0166-1280(00)00786-7. Acesso em: 25 jun. 2024.
APA
Coutinho, K. R., Saavedra, N., Serrano, A., & Canuto, S. (2001). A Monte Carlo-quantum mechanics study of the spectroscopic properties of molecules in solution. Journal of Molecular Structure-Theochem, 539, 171-179. doi:10.1016/s0166-1280(00)00786-7
NLM
Coutinho KR, Saavedra N, Serrano A, Canuto S. A Monte Carlo-quantum mechanics study of the spectroscopic properties of molecules in solution [Internet]. Journal of Molecular Structure-Theochem. 2001 ; 539 171-179.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1016/s0166-1280(00)00786-7
Vancouver
Coutinho KR, Saavedra N, Serrano A, Canuto S. A Monte Carlo-quantum mechanics study of the spectroscopic properties of molecules in solution [Internet]. Journal of Molecular Structure-Theochem. 2001 ; 539 171-179.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1016/s0166-1280(00)00786-7
Artigo de periodico
The electronic spectrum of N-methylacetamide in aqueous solution: a sequential Monte Carlo/quantum mechanical study (2001)
Rocha, William R; Almeida, Katia J de; Coutinho, Kaline Rabelo; Canuto, Sylvio
Source: Chemical Physics Letters. Unidade: IF
Subjects: MECÂNICA QUÂNTICA, MÉTODO DE MONTE CARLO, FÍSICO-QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
ROCHA, William R et al. The electronic spectrum of N-methylacetamide in aqueous solution: a sequential Monte Carlo/quantum mechanical study. Chemical Physics Letters, v. 345, n. 1-2, p. 177-178, 2001Tradução . . Disponível em: https://doi.org/10.1016/s0009-2614(01)00834-x. Acesso em: 25 jun. 2024.
APA
Rocha, W. R., Almeida, K. J. de, Coutinho, K. R., & Canuto, S. (2001). The electronic spectrum of N-methylacetamide in aqueous solution: a sequential Monte Carlo/quantum mechanical study. Chemical Physics Letters, 345( 1-2), 177-178. doi:10.1016/s0009-2614(01)00834-x
NLM
Rocha WR, Almeida KJ de, Coutinho KR, Canuto S. The electronic spectrum of N-methylacetamide in aqueous solution: a sequential Monte Carlo/quantum mechanical study [Internet]. Chemical Physics Letters. 2001 ; 345( 1-2): 177-178.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1016/s0009-2614(01)00834-x
Vancouver
Rocha WR, Almeida KJ de, Coutinho KR, Canuto S. The electronic spectrum of N-methylacetamide in aqueous solution: a sequential Monte Carlo/quantum mechanical study [Internet]. Chemical Physics Letters. 2001 ; 345( 1-2): 177-178.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1016/s0009-2614(01)00834-x
Artigo de periodico
Solvent effects in emission spectroscopy: a Monte Carlo quantum mechanics study of the n<-''pi'POT.*' shift of formaldehyde in water (2000)
Coutinho, Kaline Rabelo; Canuto, Sylvio
Source: Journal of Chemical Physics. Unidade: IF
Assunto: FÍSICO-QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
COUTINHO, Kaline Rabelo e CANUTO, Sylvio. Solvent effects in emission spectroscopy: a Monte Carlo quantum mechanics study of the n<-''pi'POT.*' shift of formaldehyde in water. Journal of Chemical Physics, v. 1113, n. 20, p. 9132-9139, 2000Tradução . . Disponível em: http://ojps.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA6000113000020009132000001&idtype=cvips. Acesso em: 25 jun. 2024.
APA
Coutinho, K. R., & Canuto, S. (2000). Solvent effects in emission spectroscopy: a Monte Carlo quantum mechanics study of the n<-''pi'POT.*' shift of formaldehyde in water. Journal of Chemical Physics, 1113( 20), 9132-9139. Recuperado de http://ojps.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA6000113000020009132000001&idtype=cvips
NLM
Coutinho KR, Canuto S. Solvent effects in emission spectroscopy: a Monte Carlo quantum mechanics study of the n<-''pi'POT.*' shift of formaldehyde in water [Internet]. Journal of Chemical Physics. 2000 ; 1113( 20): 9132-9139.[citado 2024 jun. 25 ] Available from: http://ojps.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA6000113000020009132000001&idtype=cvips
Vancouver
Coutinho KR, Canuto S. Solvent effects in emission spectroscopy: a Monte Carlo quantum mechanics study of the n<-''pi'POT.*' shift of formaldehyde in water [Internet]. Journal of Chemical Physics. 2000 ; 1113( 20): 9132-9139.[citado 2024 jun. 25 ] Available from: http://ojps.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA6000113000020009132000001&idtype=cvips
Artigo de periodico
Alignment and phase transition induced by surface action in lyotropic nematic liquid crystals (2000)
Bonvent, J J; Bechtold, I H; Vega, M. L.; Oliveira, Elisabeth Andreoli de
Source: Surface Science. Unidade: IF
Assunto: MATÉRIA CONDENSADA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
BONVENT, J J et al. Alignment and phase transition induced by surface action in lyotropic nematic liquid crystals. Surface Science, v. 62, n. 3, p. 3775-3779, 2000Tradução . . Disponível em: https://doi.org/10.1103/physreve.62.3775. Acesso em: 25 jun. 2024.
APA
Bonvent, J. J., Bechtold, I. H., Vega, M. L., & Oliveira, E. A. de. (2000). Alignment and phase transition induced by surface action in lyotropic nematic liquid crystals. Surface Science, 62( 3), 3775-3779. doi:10.1103/physreve.62.3775
NLM
Bonvent JJ, Bechtold IH, Vega ML, Oliveira EA de. Alignment and phase transition induced by surface action in lyotropic nematic liquid crystals [Internet]. Surface Science. 2000 ; 62( 3): 3775-3779.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1103/physreve.62.3775
Vancouver
Bonvent JJ, Bechtold IH, Vega ML, Oliveira EA de. Alignment and phase transition induced by surface action in lyotropic nematic liquid crystals [Internet]. Surface Science. 2000 ; 62( 3): 3775-3779.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1103/physreve.62.3775
Artigo de periodico
Including dispersion in configuration interaction-singles calculations for the spectroscopy of chromophores in solution (2000)
Canuto, Sylvio; Coutinho, Kaline Rabelo; Zerner, M C
Source: Journal of Chemical Phycics. Unidade: IF
Assunto: FÍSICO-QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
CANUTO, Sylvio e COUTINHO, Kaline Rabelo e ZERNER, M C. Including dispersion in configuration interaction-singles calculations for the spectroscopy of chromophores in solution. Journal of Chemical Phycics, v. 112, n. 17, p. 7293-7299, 2000Tradução . . Disponível em: https://doi.org/10.1063/1.481332. Acesso em: 25 jun. 2024.
APA
Canuto, S., Coutinho, K. R., & Zerner, M. C. (2000). Including dispersion in configuration interaction-singles calculations for the spectroscopy of chromophores in solution. Journal of Chemical Phycics, 112( 17), 7293-7299. doi:10.1063/1.481332
NLM
Canuto S, Coutinho KR, Zerner MC. Including dispersion in configuration interaction-singles calculations for the spectroscopy of chromophores in solution [Internet]. Journal of Chemical Phycics. 2000 ; 112( 17): 7293-7299.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1063/1.481332
Vancouver
Canuto S, Coutinho KR, Zerner MC. Including dispersion in configuration interaction-singles calculations for the spectroscopy of chromophores in solution [Internet]. Journal of Chemical Phycics. 2000 ; 112( 17): 7293-7299.[citado 2024 jun. 25 ] Available from: https://doi.org/10.1063/1.481332

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