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Artigo de periodico
Free-Energy Landscape of the S(N)2 Reaction CH3Br + Cl- ? CH3Cl + Br- in Different Liquid Environments (2022)
Valverde, Danillo ; Georg, Herbert C.; Canuto, Sylvio Roberto Accioly
Source: Journal of Physical Chemistry B. Unidades: IF, IQ
Subjects: FÍSICO-QUÍMICA, DINÂMICA DOS GASES, SOLVENTE
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ABNT
VALVERDE, Danillo e GEORG, Herbert C. e CANUTO, Sylvio Roberto Accioly. Free-Energy Landscape of the S(N)2 Reaction CH3Br + Cl- ? CH3Cl + Br- in Different Liquid Environments. Journal of Physical Chemistry B, v. 126, n. 20, p. 3685-3692, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcb.1c10282. Acesso em: 28 maio 2024.
APA
Valverde, D., Georg, H. C., & Canuto, S. R. A. (2022). Free-Energy Landscape of the S(N)2 Reaction CH3Br + Cl- ? CH3Cl + Br- in Different Liquid Environments. Journal of Physical Chemistry B, 126( 20), 3685-3692. doi:10.1021/acs.jpcb.1c10282
NLM
Valverde D, Georg HC, Canuto SRA. Free-Energy Landscape of the S(N)2 Reaction CH3Br + Cl- ? CH3Cl + Br- in Different Liquid Environments [Internet]. Journal of Physical Chemistry B. 2022 ; 126( 20): 3685-3692.[citado 2024 maio 28 ] Available from: https://doi.org/10.1021/acs.jpcb.1c10282
Vancouver
Valverde D, Georg HC, Canuto SRA. Free-Energy Landscape of the S(N)2 Reaction CH3Br + Cl- ? CH3Cl + Br- in Different Liquid Environments [Internet]. Journal of Physical Chemistry B. 2022 ; 126( 20): 3685-3692.[citado 2024 maio 28 ] Available from: https://doi.org/10.1021/acs.jpcb.1c10282
Artigo de periodico
Multicomponent Quantum Mechanics/Molecular Mechanics Study of Hydrated Positronium (2022)
Bergami, Mateus; Santana, Andre L. D.; Charry, Jorge ; Reyes, Andres ; Coutinho, Kaline Rabelo ; Varella, Márcio Teixeira do Nascimento
Source: Journal of Physical Chemistry B. Unidade: IF
Subjects: FÍSICO-QUÍMICA, MECÂNICA QUÂNTICA, MÉTODO DE MONTE CARLO, ESPECTROSCOPIA, MOLÉCULA
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ABNT
BERGAMI, Mateus et al. Multicomponent Quantum Mechanics/Molecular Mechanics Study of Hydrated Positronium. Journal of Physical Chemistry B, v. 126, n. 14, p. 2699-2714, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcb.1c10124. Acesso em: 28 maio 2024.
APA
Bergami, M., Santana, A. L. D., Charry, J., Reyes, A., Coutinho, K. R., & Varella, M. T. do N. (2022). Multicomponent Quantum Mechanics/Molecular Mechanics Study of Hydrated Positronium. Journal of Physical Chemistry B, 126( 14), 2699-2714. doi:10.1021/acs.jpcb.1c10124
NLM
Bergami M, Santana ALD, Charry J, Reyes A, Coutinho KR, Varella MT do N. Multicomponent Quantum Mechanics/Molecular Mechanics Study of Hydrated Positronium [Internet]. Journal of Physical Chemistry B. 2022 ; 126( 14): 2699-2714.[citado 2024 maio 28 ] Available from: https://doi.org/10.1021/acs.jpcb.1c10124
Vancouver
Bergami M, Santana ALD, Charry J, Reyes A, Coutinho KR, Varella MT do N. Multicomponent Quantum Mechanics/Molecular Mechanics Study of Hydrated Positronium [Internet]. Journal of Physical Chemistry B. 2022 ; 126( 14): 2699-2714.[citado 2024 maio 28 ] Available from: https://doi.org/10.1021/acs.jpcb.1c10124
Artigo de periodico
Excited-state properties and relaxation pathways of selenium-substituted guanine nucleobase in aqueous solution and DNA duplex (2021)
Fang, Ye-Guang; Valverde, Danillo Pires ; Mai, Sebastian ; Canuto, Sylvio Roberto Accioly ; Borin, Antonio Carlos ; Cui, Ganglong ; González, Leticia
Source: Journal of Physical Chemistry B. Unidades: IF, IQ
Subjects: SELÊNIO, CITOCINAS, ESTRUTURA QUÍMICA, GENÉTICA, ENERGIA
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ABNT
FANG, Ye-Guang et al. Excited-state properties and relaxation pathways of selenium-substituted guanine nucleobase in aqueous solution and DNA duplex. Journal of Physical Chemistry B, v. 125, p. 1778−1789, 2021Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcb.0c10855. Acesso em: 28 maio 2024.
APA
Fang, Y. -G., Valverde, D. P., Mai, S., Canuto, S. R. A., Borin, A. C., Cui, G., & González, L. (2021). Excited-state properties and relaxation pathways of selenium-substituted guanine nucleobase in aqueous solution and DNA duplex. Journal of Physical Chemistry B, 125, 1778−1789. doi:10.1021/acs.jpcb.0c10855
NLM
Fang Y-G, Valverde DP, Mai S, Canuto SRA, Borin AC, Cui G, González L. Excited-state properties and relaxation pathways of selenium-substituted guanine nucleobase in aqueous solution and DNA duplex [Internet]. Journal of Physical Chemistry B. 2021 ; 125 1778−1789.[citado 2024 maio 28 ] Available from: https://doi.org/10.1021/acs.jpcb.0c10855
Vancouver
Fang Y-G, Valverde DP, Mai S, Canuto SRA, Borin AC, Cui G, González L. Excited-state properties and relaxation pathways of selenium-substituted guanine nucleobase in aqueous solution and DNA duplex [Internet]. Journal of Physical Chemistry B. 2021 ; 125 1778−1789.[citado 2024 maio 28 ] Available from: https://doi.org/10.1021/acs.jpcb.0c10855
Artigo de periodico
Modified 3D Ewald Summation for Slab Geometry at Constant Potential (2020)
Girotto, Matheus; Alencar, Adriano Mesquita
Source: Journal of Physical Chemistry B. Unidade: IF
Assunto: MÉTODO DE MONTE CARLO
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ABNT
GIROTTO, Matheus e ALENCAR, Adriano Mesquita. Modified 3D Ewald Summation for Slab Geometry at Constant Potential. Journal of Physical Chemistry B, v. 124, p. 7842−7848, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcb.0c03510. Acesso em: 28 maio 2024.
APA
Girotto, M., & Alencar, A. M. (2020). Modified 3D Ewald Summation for Slab Geometry at Constant Potential. Journal of Physical Chemistry B, 124, 7842−7848. doi:10.1021/acs.jpcb.0c03510
NLM
Girotto M, Alencar AM. Modified 3D Ewald Summation for Slab Geometry at Constant Potential [Internet]. Journal of Physical Chemistry B. 2020 ; 124 7842−7848.[citado 2024 maio 28 ] Available from: https://doi.org/10.1021/acs.jpcb.0c03510
Vancouver
Girotto M, Alencar AM. Modified 3D Ewald Summation for Slab Geometry at Constant Potential [Internet]. Journal of Physical Chemistry B. 2020 ; 124 7842−7848.[citado 2024 maio 28 ] Available from: https://doi.org/10.1021/acs.jpcb.0c03510
Artigo de periodico
Microscopic origin of different hydration patterns of para-nitrophenol and its anion: a study combining multiconfigurational calculations and the free-energy gradient method (2018)
Bistafa, Carlos; Kitamura, Yukichi; Nagaoka, Masataka; Canuto, Sylvio Roberto Accioly
Source: Journal of Physical Chemistry B. Unidade: IF
Subjects: ESTRUTURA ELETRÔNICA, ELETROSTÁTICA, NUCLEOSÍDEOS, MICROSCÓPIA
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ABNT
BISTAFA, Carlos et al. Microscopic origin of different hydration patterns of para-nitrophenol and its anion: a study combining multiconfigurational calculations and the free-energy gradient method. Journal of Physical Chemistry B, v. 122, n. 39, p. 9202-9209, 2018Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcb.8b06439. Acesso em: 28 maio 2024.
APA
Bistafa, C., Kitamura, Y., Nagaoka, M., & Canuto, S. R. A. (2018). Microscopic origin of different hydration patterns of para-nitrophenol and its anion: a study combining multiconfigurational calculations and the free-energy gradient method. Journal of Physical Chemistry B, 122( 39), 9202-9209. doi:10.1021/acs.jpcb.8b06439
NLM
Bistafa C, Kitamura Y, Nagaoka M, Canuto SRA. Microscopic origin of different hydration patterns of para-nitrophenol and its anion: a study combining multiconfigurational calculations and the free-energy gradient method [Internet]. Journal of Physical Chemistry B. 2018 ; 122( 39): 9202-9209.[citado 2024 maio 28 ] Available from: https://doi.org/10.1021/acs.jpcb.8b06439
Vancouver
Bistafa C, Kitamura Y, Nagaoka M, Canuto SRA. Microscopic origin of different hydration patterns of para-nitrophenol and its anion: a study combining multiconfigurational calculations and the free-energy gradient method [Internet]. Journal of Physical Chemistry B. 2018 ; 122( 39): 9202-9209.[citado 2024 maio 28 ] Available from: https://doi.org/10.1021/acs.jpcb.8b06439
Artigo de periodico
Experimental and theoretical study on the one- and two-photon absorption properties of novel organic molecules based on phenylacetylene and azoaromatic moieties (2012)
Vivas, Marcelo G. ; Silva, Daniel L; De Boni, Leonardo ; Bretonniere, Yann; Andraud, Chantal; Laibe-Darbour, Florence; Mulatier, J. C.; Zalésny, Robert; Bartkowiak, Wojciech; Canuto, Sylvio ; Mendonça, Cleber Renato
Source: Journal of Physical Chemistry B. Unidades: IFSC, IF
Subjects: NANOPARTÍCULAS, FOTÔNICA, ABSORÇÃO DA LUZ
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ABNT
VIVAS, Marcelo G. et al. Experimental and theoretical study on the one- and two-photon absorption properties of novel organic molecules based on phenylacetylene and azoaromatic moieties. Journal of Physical Chemistry B, v. 116, n. 50, p. 14677\221214688, 2012Tradução . . Disponível em: https://doi.org/10.1021/jp310731t. Acesso em: 28 maio 2024.
APA
Vivas, M. G., Silva, D. L., De Boni, L., Bretonniere, Y., Andraud, C., Laibe-Darbour, F., et al. (2012). Experimental and theoretical study on the one- and two-photon absorption properties of novel organic molecules based on phenylacetylene and azoaromatic moieties. Journal of Physical Chemistry B, 116( 50), 14677\221214688. doi:10.1021/jp310731t
NLM
Vivas MG, Silva DL, De Boni L, Bretonniere Y, Andraud C, Laibe-Darbour F, Mulatier JC, Zalésny R, Bartkowiak W, Canuto S, Mendonça CR. Experimental and theoretical study on the one- and two-photon absorption properties of novel organic molecules based on phenylacetylene and azoaromatic moieties [Internet]. Journal of Physical Chemistry B. 2012 ; 116( 50): 14677\221214688.[citado 2024 maio 28 ] Available from: https://doi.org/10.1021/jp310731t
Vancouver
Vivas MG, Silva DL, De Boni L, Bretonniere Y, Andraud C, Laibe-Darbour F, Mulatier JC, Zalésny R, Bartkowiak W, Canuto S, Mendonça CR. Experimental and theoretical study on the one- and two-photon absorption properties of novel organic molecules based on phenylacetylene and azoaromatic moieties [Internet]. Journal of Physical Chemistry B. 2012 ; 116( 50): 14677\221214688.[citado 2024 maio 28 ] Available from: https://doi.org/10.1021/jp310731t
Artigo de periodico
Electronic properties of water in liquid environment: a sequential QM/MM study using the free energy gradient method (2012)
Georg, Herbert de Castro ; Canuto, Sylvio
Source: Journal of Physical Chemistry B. Unidade: IF
Subjects: FÍSICO-QUÍMICA, MECÂNICA QUÂNTICA, MÉTODO DE MONTE CARLO
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ABNT
GEORG, Herbert de Castro e CANUTO, Sylvio. Electronic properties of water in liquid environment: a sequential QM/MM study using the free energy gradient method. Journal of Physical Chemistry B, v. 116, n. 36 p.11247–11254, 2012Tradução . . Disponível em: https://doi.org/10.1021/jp304201b. Acesso em: 28 maio 2024.
APA
Georg, H. de C., & Canuto, S. (2012). Electronic properties of water in liquid environment: a sequential QM/MM study using the free energy gradient method. Journal of Physical Chemistry B, 116( 36 p.11247–11254). doi:10.1021/jp304201b
NLM
Georg H de C, Canuto S. Electronic properties of water in liquid environment: a sequential QM/MM study using the free energy gradient method [Internet]. Journal of Physical Chemistry B. 2012 ;116( 36 p.11247–11254):[citado 2024 maio 28 ] Available from: https://doi.org/10.1021/jp304201b
Vancouver
Georg H de C, Canuto S. Electronic properties of water in liquid environment: a sequential QM/MM study using the free energy gradient method [Internet]. Journal of Physical Chemistry B. 2012 ;116( 36 p.11247–11254):[citado 2024 maio 28 ] Available from: https://doi.org/10.1021/jp304201b
Artigo de periodico
The Role of Molecular Conformation and Polarizable Embedding for One- and Two-Photon Absorption of Disperse Orange 3 in Solution (2012)
Silva, Daniel Luiz da; Murugan, N Arul; Kongsted, Jacob; Rinkevicius, Zilvinas; Canuto, Sylvio ; Agren, Hans
Source: Journal of Physical Chemistry B. Unidade: IF
Subjects: FÍSICO-QUÍMICA, QUÍMICA QUÂNTICA
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ABNT
SILVA, Daniel Luiz da et al. The Role of Molecular Conformation and Polarizable Embedding for One- and Two-Photon Absorption of Disperse Orange 3 in Solution. Journal of Physical Chemistry B, v. 116, n. 30, p. 8023-8030, 2012Tradução . . Disponível em: https://doi.org/10.1021/jp3032034. Acesso em: 28 maio 2024.
APA
Silva, D. L. da, Murugan, N. A., Kongsted, J., Rinkevicius, Z., Canuto, S., & Agren, H. (2012). The Role of Molecular Conformation and Polarizable Embedding for One- and Two-Photon Absorption of Disperse Orange 3 in Solution. Journal of Physical Chemistry B, 116( 30), 8023-8030. doi:10.1021/jp3032034
NLM
Silva DL da, Murugan NA, Kongsted J, Rinkevicius Z, Canuto S, Agren H. The Role of Molecular Conformation and Polarizable Embedding for One- and Two-Photon Absorption of Disperse Orange 3 in Solution [Internet]. Journal of Physical Chemistry B. 2012 ; 116( 30): 8023-8030.[citado 2024 maio 28 ] Available from: https://doi.org/10.1021/jp3032034
Vancouver
Silva DL da, Murugan NA, Kongsted J, Rinkevicius Z, Canuto S, Agren H. The Role of Molecular Conformation and Polarizable Embedding for One- and Two-Photon Absorption of Disperse Orange 3 in Solution [Internet]. Journal of Physical Chemistry B. 2012 ; 116( 30): 8023-8030.[citado 2024 maio 28 ] Available from: https://doi.org/10.1021/jp3032034
Artigo de periodico
Solvent effects on global reactivity properties for neutral and charged systems using the sequential Monte Carlo quantum mechanics model (2009)
Jaramillo, Paula; Perez, Patrícia; Fuentealba, Patricio; Coutinho, Kaline Rabelo
Source: Journal of Physical Chemistry B. Unidade: IF
Subjects: MECÂNICA QUÂNTICA, MÉTODO DE MONTE CARLO
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ABNT
JARAMILLO, Paula et al. Solvent effects on global reactivity properties for neutral and charged systems using the sequential Monte Carlo quantum mechanics model. Journal of Physical Chemistry B, v. 113, n. 13, p. 4314-4322, 2009Tradução . . Disponível em: http://pubs.acs.org/doi/pdfplus/10.1021/jp808210y. Acesso em: 28 maio 2024.
APA
Jaramillo, P., Perez, P., Fuentealba, P., & Coutinho, K. R. (2009). Solvent effects on global reactivity properties for neutral and charged systems using the sequential Monte Carlo quantum mechanics model. Journal of Physical Chemistry B, 113( 13), 4314-4322. Recuperado de http://pubs.acs.org/doi/pdfplus/10.1021/jp808210y
NLM
Jaramillo P, Perez P, Fuentealba P, Coutinho KR. Solvent effects on global reactivity properties for neutral and charged systems using the sequential Monte Carlo quantum mechanics model [Internet]. Journal of Physical Chemistry B. 2009 ; 113( 13): 4314-4322.[citado 2024 maio 28 ] Available from: http://pubs.acs.org/doi/pdfplus/10.1021/jp808210y
Vancouver
Jaramillo P, Perez P, Fuentealba P, Coutinho KR. Solvent effects on global reactivity properties for neutral and charged systems using the sequential Monte Carlo quantum mechanics model [Internet]. Journal of Physical Chemistry B. 2009 ; 113( 13): 4314-4322.[citado 2024 maio 28 ] Available from: http://pubs.acs.org/doi/pdfplus/10.1021/jp808210y
Artigo de periodico
Hydrophobic Hydration in an Orientational Lattice Model (2006)
Guisoni, Nara Cristina; Henriques, Vera Bohomoletz
Source: Journal of Physical Chemistry B. Unidade: IF
Subjects: TERMODINÂMICA, MECÂNICA ESTATÍSTICA, MÉTODO DE MONTE CARLO
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ABNT
GUISONI, Nara Cristina e HENRIQUES, Vera Bohomoletz. Hydrophobic Hydration in an Orientational Lattice Model. Journal of Physical Chemistry B, v. 110, n. 34, p. 17188-17194, 2006Tradução . . Disponível em: https://doi.org/10.1021/jp060729f. Acesso em: 28 maio 2024.
APA
Guisoni, N. C., & Henriques, V. B. (2006). Hydrophobic Hydration in an Orientational Lattice Model. Journal of Physical Chemistry B, 110( 34), 17188-17194. doi:10.1021/jp060729f
NLM
Guisoni NC, Henriques VB. Hydrophobic Hydration in an Orientational Lattice Model [Internet]. Journal of Physical Chemistry B. 2006 ; 110( 34): 17188-17194.[citado 2024 maio 28 ] Available from: https://doi.org/10.1021/jp060729f
Vancouver
Guisoni NC, Henriques VB. Hydrophobic Hydration in an Orientational Lattice Model [Internet]. Journal of Physical Chemistry B. 2006 ; 110( 34): 17188-17194.[citado 2024 maio 28 ] Available from: https://doi.org/10.1021/jp060729f
Artigo de periodico
Comment on "Gel-fluid transition in dilute versus concentrated DMPG aqueous dispersons" (2003)
Riske, Karin do Amaral; Döbereiner, Hans-Günther; Lamy, Maria Teresa Moura
Source: Journal of Physical Chemistry B. Unidade: IF
Subjects: FÍSICO-QUÍMICA, MUDANÇA DE FASE
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ABNT
RISKE, Karin do Amaral e DÖBEREINER, Hans-Günther e LAMY, Maria Teresa Moura. Comment on "Gel-fluid transition in dilute versus concentrated DMPG aqueous dispersons". Journal of Physical Chemistry B, v. 107, n. 22, p. 5391-5392, 2003Tradução . . Disponível em: http://pubs.acs.org/cgi-bin/article.cgi/jpcbfk/2003/107/i22/pdf/jp027077p.pdf. Acesso em: 28 maio 2024.
APA
Riske, K. do A., Döbereiner, H. -G., & Lamy, M. T. M. (2003). Comment on "Gel-fluid transition in dilute versus concentrated DMPG aqueous dispersons". Journal of Physical Chemistry B, 107( 22), 5391-5392. Recuperado de http://pubs.acs.org/cgi-bin/article.cgi/jpcbfk/2003/107/i22/pdf/jp027077p.pdf
NLM
Riske K do A, Döbereiner H-G, Lamy MTM. Comment on "Gel-fluid transition in dilute versus concentrated DMPG aqueous dispersons" [Internet]. Journal of Physical Chemistry B. 2003 ; 107( 22): 5391-5392.[citado 2024 maio 28 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcbfk/2003/107/i22/pdf/jp027077p.pdf
Vancouver
Riske K do A, Döbereiner H-G, Lamy MTM. Comment on "Gel-fluid transition in dilute versus concentrated DMPG aqueous dispersons" [Internet]. Journal of Physical Chemistry B. 2003 ; 107( 22): 5391-5392.[citado 2024 maio 28 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcbfk/2003/107/i22/pdf/jp027077p.pdf
Artigo de periodico
Gel-fuid transition in dilute versus concentrated DMPG aqueous dispersons (2002)
Riske, Karin do Amaral; Döbereiner, Hans-Günther; Lamy, Maria Teresa Moura
Source: Journal of Physical Chemistry B. Unidade: IF
Subjects: FÍSICO-QUÍMICA, MUDANÇA DE FASE
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
RISKE, Karin do Amaral e DÖBEREINER, Hans-Günther e LAMY, Maria Teresa Moura. Gel-fuid transition in dilute versus concentrated DMPG aqueous dispersons. Journal of Physical Chemistry B, v. 106, n. 2, p. 239-246, 2002Tradução . . Disponível em: http://pubs.acs.org/journals/jpcbfk/article.cgi/jpcbfk/2002/106/i02/pdf/jp011584+.pdf. Acesso em: 28 maio 2024.
APA
Riske, K. do A., Döbereiner, H. -G., & Lamy, M. T. M. (2002). Gel-fuid transition in dilute versus concentrated DMPG aqueous dispersons. Journal of Physical Chemistry B, 106( 2), 239-246. Recuperado de http://pubs.acs.org/journals/jpcbfk/article.cgi/jpcbfk/2002/106/i02/pdf/jp011584+.pdf
NLM
Riske K do A, Döbereiner H-G, Lamy MTM. Gel-fuid transition in dilute versus concentrated DMPG aqueous dispersons [Internet]. Journal of Physical Chemistry B. 2002 ; 106( 2): 239-246.[citado 2024 maio 28 ] Available from: http://pubs.acs.org/journals/jpcbfk/article.cgi/jpcbfk/2002/106/i02/pdf/jp011584+.pdf
Vancouver
Riske K do A, Döbereiner H-G, Lamy MTM. Gel-fuid transition in dilute versus concentrated DMPG aqueous dispersons [Internet]. Journal of Physical Chemistry B. 2002 ; 106( 2): 239-246.[citado 2024 maio 28 ] Available from: http://pubs.acs.org/journals/jpcbfk/article.cgi/jpcbfk/2002/106/i02/pdf/jp011584+.pdf

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