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  • Artigo de periodico

    The nuclear quadrupole moment of barium from the molecular method (2026)

    Haiduke, Roberto Luiz Andrade

    Source: Chemical Physics. Unidade: IQSC

    Subjects: QUÍMICA TEÓRICA, FÍSICO-QUÍMICA, BÁRIO

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      HAIDUKE, Roberto Luiz Andrade. The nuclear quadrupole moment of barium from the molecular method. Chemical Physics, v. 603, p. art. 113055 ( 1-5), 2026Tradução . . Disponível em: https://doi.org/10.1016/j.chemphys.2025.113055. Acesso em: 26 jan. 2026.

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      Haiduke, R. L. A. (2026). The nuclear quadrupole moment of barium from the molecular method. Chemical Physics, 603, art. 113055 ( 1-5). doi:10.1016/j.chemphys.2025.113055

    • NLM

      Haiduke RLA. The nuclear quadrupole moment of barium from the molecular method [Internet]. Chemical Physics. 2026 ; 603 art. 113055 ( 1-5).[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2025.113055

    • Vancouver

      Haiduke RLA. The nuclear quadrupole moment of barium from the molecular method [Internet]. Chemical Physics. 2026 ; 603 art. 113055 ( 1-5).[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2025.113055

  • Artigo de periodico

    Controlling curcumin/acrylic polymer interactions for tailored delivery systems (2024)

    Riel Neto, Francisco van; Zanatta, Bruno Souza; Piovesan, Erick ; Foschini, Mauricio; Tozoni, José Roberto; Cristóvan, Fernando Henrique ; Oliveira Junior, Osvaldo Novais de ; Akcelrud, Leni ; Marletta, Alexandre

    Source: Chemical Physics. Unidade: IFSC

    Subjects: POLÍMEROS (QUÍMICA ORGÂNICA), FOTOLUMINESCÊNCIA, AÇAFRÃO, TERAPIA FOTODINÂMICA

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      RIEL NETO, Francisco van et al. Controlling curcumin/acrylic polymer interactions for tailored delivery systems. Chemical Physics, v. No 2024, p. 112423-1-112423-7 + supplementary data, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.chemphys.2024.112423. Acesso em: 26 jan. 2026.

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      Riel Neto, F. van, Zanatta, B. S., Piovesan, E., Foschini, M., Tozoni, J. R., Cristóvan, F. H., et al. (2024). Controlling curcumin/acrylic polymer interactions for tailored delivery systems. Chemical Physics, No 2024, 112423-1-112423-7 + supplementary data. doi:10.1016/j.chemphys.2024.112423

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      Riel Neto F van, Zanatta BS, Piovesan E, Foschini M, Tozoni JR, Cristóvan FH, Oliveira Junior ON de, Akcelrud L, Marletta A. Controlling curcumin/acrylic polymer interactions for tailored delivery systems [Internet]. Chemical Physics. 2024 ; No 2024 112423-1-112423-7 + supplementary data.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2024.112423

    • Vancouver

      Riel Neto F van, Zanatta BS, Piovesan E, Foschini M, Tozoni JR, Cristóvan FH, Oliveira Junior ON de, Akcelrud L, Marletta A. Controlling curcumin/acrylic polymer interactions for tailored delivery systems [Internet]. Chemical Physics. 2024 ; No 2024 112423-1-112423-7 + supplementary data.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2024.112423

  • Artigo de periodico

    Diffusion Monte Carlo investigation of electronic structure properties for 13-atom alkali metal clusters (2023)

    Angelotti, Wagner F.D.; Haiduke, Roberto Luiz Andrade ; Silva, Alberico Borges Ferreira da

    Source: Chemical Physics. Unidade: IQSC

    Subjects: METAIS ALCALINOS, QUÍMICA TEÓRICA

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      ANGELOTTI, Wagner F.D. e HAIDUKE, Roberto Luiz Andrade e SILVA, Alberico Borges Ferreira da. Diffusion Monte Carlo investigation of electronic structure properties for 13-atom alkali metal clusters. Chemical Physics, v. 565, p. 111767, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.chemphys.2022.111767. Acesso em: 26 jan. 2026.

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      Angelotti, W. F. D., Haiduke, R. L. A., & Silva, A. B. F. da. (2023). Diffusion Monte Carlo investigation of electronic structure properties for 13-atom alkali metal clusters. Chemical Physics, 565, 111767. doi:10.1016/j.chemphys.2022.111767

    • NLM

      Angelotti WFD, Haiduke RLA, Silva ABF da. Diffusion Monte Carlo investigation of electronic structure properties for 13-atom alkali metal clusters [Internet]. Chemical Physics. 2023 ;565 111767.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2022.111767

    • Vancouver

      Angelotti WFD, Haiduke RLA, Silva ABF da. Diffusion Monte Carlo investigation of electronic structure properties for 13-atom alkali metal clusters [Internet]. Chemical Physics. 2023 ;565 111767.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2022.111767

  • Artigo de periodico

    Thermodynamic stability of diatomic dications of the families of alkaline earth oxides and hydrides: the cases of BaO2+ and BaH2+ (2019)

    Santos, Levi Gonçalves dos; Ornellas, Fernando Rei

    Source: Chemical Physics. Unidade: IQ

    Assunto: TERMODINÂMICA (FÍSICO-QUÍMICA)

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      SANTOS, Levi Gonçalves dos e ORNELLAS, Fernando Rei. Thermodynamic stability of diatomic dications of the families of alkaline earth oxides and hydrides: the cases of BaO2+ and BaH2+. Chemical Physics, v. 520, p. 32-39, 2019Tradução . . Disponível em: https://doi.org/10.1016/j.chemphys.2018.12.014. Acesso em: 26 jan. 2026.

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      Santos, L. G. dos, & Ornellas, F. R. (2019). Thermodynamic stability of diatomic dications of the families of alkaline earth oxides and hydrides: the cases of BaO2+ and BaH2+. Chemical Physics, 520, 32-39. doi:10.1016/j.chemphys.2018.12.014

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      Santos LG dos, Ornellas FR. Thermodynamic stability of diatomic dications of the families of alkaline earth oxides and hydrides: the cases of BaO2+ and BaH2+ [Internet]. Chemical Physics. 2019 ; 520 32-39.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2018.12.014

    • Vancouver

      Santos LG dos, Ornellas FR. Thermodynamic stability of diatomic dications of the families of alkaline earth oxides and hydrides: the cases of BaO2+ and BaH2+ [Internet]. Chemical Physics. 2019 ; 520 32-39.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2018.12.014

  • Artigo de periodico

    Antimicrobial activity of TiO2:Ag nanocrystalline heterostructures: experimental and theoretical insights (2015)

    André, Rafaela S.; Zamperini, Camila A.; Mima, Ewerton G.; Longo, Valéria M; Albuquerque, Anderson R.; Sambrano, Júlio R.; Machado, Ana L.; Vergani, Carlos E.; Hernandes, Antônio Carlos ; Varela, José A.; Longo, Elson

    Source: Chemical Physics. Unidade: IFSC

    Subjects: NANOTECNOLOGIA, TITÂNIO

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      ANDRÉ, Rafaela S. et al. Antimicrobial activity of TiO2:Ag nanocrystalline heterostructures: experimental and theoretical insights. Chemical Physics, v. 459, p. 87-95, 2015Tradução . . Disponível em: https://doi.org/10.1016/j.chemphys.2015.07.020. Acesso em: 26 jan. 2026.

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      André, R. S., Zamperini, C. A., Mima, E. G., Longo, V. M., Albuquerque, A. R., Sambrano, J. R., et al. (2015). Antimicrobial activity of TiO2:Ag nanocrystalline heterostructures: experimental and theoretical insights. Chemical Physics, 459, 87-95. doi:10.1016/j.chemphys.2015.07.020

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      André RS, Zamperini CA, Mima EG, Longo VM, Albuquerque AR, Sambrano JR, Machado AL, Vergani CE, Hernandes AC, Varela JA, Longo E. Antimicrobial activity of TiO2:Ag nanocrystalline heterostructures: experimental and theoretical insights [Internet]. Chemical Physics. 2015 ; 459 87-95.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2015.07.020

    • Vancouver

      André RS, Zamperini CA, Mima EG, Longo VM, Albuquerque AR, Sambrano JR, Machado AL, Vergani CE, Hernandes AC, Varela JA, Longo E. Antimicrobial activity of TiO2:Ag nanocrystalline heterostructures: experimental and theoretical insights [Internet]. Chemical Physics. 2015 ; 459 87-95.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2015.07.020

  • Artigo de periodico

    Triangular metal nanoprisms of 'AG', 'AU', and 'CU': Modeling the influence of size, composition, and excitation wavelength on the optical properties (2013)

    Hermoso, Willian; Alves, Tiago Vinicius; Oliveira, Caio Cesar Spindola de; Moriya, Eduardo Gouveia; Ornellas, Fernando Rei ; Camargo, Pedro Henrique Cury de

    Source: Chemical Physics. Unidade: IQ

    Subjects: COBRE, OURO, PRATA, NANOPARTÍCULAS

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      HERMOSO, Willian et al. Triangular metal nanoprisms of 'AG', 'AU', and 'CU': Modeling the influence of size, composition, and excitation wavelength on the optical properties. Chemical Physics, v. 423, p. 142-150, 2013Tradução . . Disponível em: https://doi.org/10.1016/j.chemphys.2013.07.008. Acesso em: 26 jan. 2026.

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      Hermoso, W., Alves, T. V., Oliveira, C. C. S. de, Moriya, E. G., Ornellas, F. R., & Camargo, P. H. C. de. (2013). Triangular metal nanoprisms of 'AG', 'AU', and 'CU': Modeling the influence of size, composition, and excitation wavelength on the optical properties. Chemical Physics, 423, 142-150. doi:10.1016/j.chemphys.2013.07.008

    • NLM

      Hermoso W, Alves TV, Oliveira CCS de, Moriya EG, Ornellas FR, Camargo PHC de. Triangular metal nanoprisms of 'AG', 'AU', and 'CU': Modeling the influence of size, composition, and excitation wavelength on the optical properties [Internet]. Chemical Physics. 2013 ; 423 142-150.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2013.07.008

    • Vancouver

      Hermoso W, Alves TV, Oliveira CCS de, Moriya EG, Ornellas FR, Camargo PHC de. Triangular metal nanoprisms of 'AG', 'AU', and 'CU': Modeling the influence of size, composition, and excitation wavelength on the optical properties [Internet]. Chemical Physics. 2013 ; 423 142-150.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2013.07.008

  • Artigo de periodico

    A theoretical investigation of the dictating forces in small amino acid conformational preferences: the case of glycine, sarcosine and N,N-dimethylglycine (2013)

    Cormanich, Rodrigo Antônio; Ducati, Lucas Colucci ; Tormena, Cláudio Francisco; Rittner, Roberto

    Source: Chemical Physics. Unidade: IQ

    Subjects: AMINOÁCIDOS, ESTEREOQUÍMICA

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      CORMANICH, Rodrigo Antônio et al. A theoretical investigation of the dictating forces in small amino acid conformational preferences: the case of glycine, sarcosine and N,N-dimethylglycine. Chemical Physics, v. 421, p. 32-38, 2013Tradução . . Disponível em: https://doi.org/10.1016/j.chemphys.2013.05.007. Acesso em: 26 jan. 2026.

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      Cormanich, R. A., Ducati, L. C., Tormena, C. F., & Rittner, R. (2013). A theoretical investigation of the dictating forces in small amino acid conformational preferences: the case of glycine, sarcosine and N,N-dimethylglycine. Chemical Physics, 421, 32-38. doi:10.1016/j.chemphys.2013.05.007

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      Cormanich RA, Ducati LC, Tormena CF, Rittner R. A theoretical investigation of the dictating forces in small amino acid conformational preferences: the case of glycine, sarcosine and N,N-dimethylglycine [Internet]. Chemical Physics. 2013 ; 421 32-38.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2013.05.007

    • Vancouver

      Cormanich RA, Ducati LC, Tormena CF, Rittner R. A theoretical investigation of the dictating forces in small amino acid conformational preferences: the case of glycine, sarcosine and N,N-dimethylglycine [Internet]. Chemical Physics. 2013 ; 421 32-38.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2013.05.007

  • Artigo de periodico

    Theoretical and experimental studies on the electronic, optical, and structural properties of poly-pyrrole-2-carboxylic acid films (2013)

    Foschini, Mauricio; Silva, Hugo Santos; Silva, Raigna A.; Marletta, Alexandre; Gonçalves, Débora

    Source: Chemical Physics. Unidade: IFSC

    Subjects: SENSOR, ELETROQUÍMICA

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      FOSCHINI, Mauricio et al. Theoretical and experimental studies on the electronic, optical, and structural properties of poly-pyrrole-2-carboxylic acid films. Chemical Physics, v. No 2013, p. 91-95, 2013Tradução . . Disponível em: https://doi.org/10.1016/j.chemphys.2013.08.006. Acesso em: 26 jan. 2026.

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      Foschini, M., Silva, H. S., Silva, R. A., Marletta, A., & Gonçalves, D. (2013). Theoretical and experimental studies on the electronic, optical, and structural properties of poly-pyrrole-2-carboxylic acid films. Chemical Physics, No 2013, 91-95. doi:10.1016/j.chemphys.2013.08.006

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      Foschini M, Silva HS, Silva RA, Marletta A, Gonçalves D. Theoretical and experimental studies on the electronic, optical, and structural properties of poly-pyrrole-2-carboxylic acid films [Internet]. Chemical Physics. 2013 ; No 2013 91-95.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2013.08.006

    • Vancouver

      Foschini M, Silva HS, Silva RA, Marletta A, Gonçalves D. Theoretical and experimental studies on the electronic, optical, and structural properties of poly-pyrrole-2-carboxylic acid films [Internet]. Chemical Physics. 2013 ; No 2013 91-95.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2013.08.006

  • Artigo de periodico

    The radical 'SE''CL': A theoretical contribution to the characterization of its low-lying electronic states (2012)

    Hermoso, Willian; Ornellas, Fernando Rei

    Source: Chemical Physics. Unidade: IQ

    Subjects: SELÊNIO, ESPECTROSCOPIA

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      HERMOSO, Willian e ORNELLAS, Fernando Rei. The radical 'SE''CL': A theoretical contribution to the characterization of its low-lying electronic states. Chemical Physics, v. 397, p. 98-101, 2012Tradução . . Disponível em: https://doi.org/10.1016/j.chemphys.2012.01.009. Acesso em: 26 jan. 2026.

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      Hermoso, W., & Ornellas, F. R. (2012). The radical 'SE''CL': A theoretical contribution to the characterization of its low-lying electronic states. Chemical Physics, 397, 98-101. doi:10.1016/j.chemphys.2012.01.009

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      Hermoso W, Ornellas FR. The radical 'SE''CL': A theoretical contribution to the characterization of its low-lying electronic states [Internet]. Chemical Physics. 2012 ; 397 98-101.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2012.01.009

    • Vancouver

      Hermoso W, Ornellas FR. The radical 'SE''CL': A theoretical contribution to the characterization of its low-lying electronic states [Internet]. Chemical Physics. 2012 ; 397 98-101.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2012.01.009

  • Artigo de periodico

    Theoretical study of the 'XP IND.3' (X = 'AL', 'B', 'GA') clusters (2012)

    Ueno, Leonardo T; Lopes, Cinara; Malaspina, Thaciana; Roberto-Neto, Orlando; Machado, Francisco B C; Canuto, Sylvio Roberto Accioly

    Source: Chemical Physics. Unidade: IF

    Assunto: CLUSTERS

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      UENO, Leonardo T et al. Theoretical study of the 'XP IND.3' (X = 'AL', 'B', 'GA') clusters. Chemical Physics, v. 399, n. 3, p. 22-27, 2012Tradução . . Disponível em: https://doi.org/10.1016/j.chemphys.2011.06.004. Acesso em: 26 jan. 2026.

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      Ueno, L. T., Lopes, C., Malaspina, T., Roberto-Neto, O., Machado, F. B. C., & Canuto, S. R. A. (2012). Theoretical study of the 'XP IND.3' (X = 'AL', 'B', 'GA') clusters. Chemical Physics, 399( 3), 22-27. doi:10.1016/j.chemphys.2011.06.004

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      Ueno LT, Lopes C, Malaspina T, Roberto-Neto O, Machado FBC, Canuto SRA. Theoretical study of the 'XP IND.3' (X = 'AL', 'B', 'GA') clusters [Internet]. Chemical Physics. 2012 ;399( 3): 22-27.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2011.06.004

    • Vancouver

      Ueno LT, Lopes C, Malaspina T, Roberto-Neto O, Machado FBC, Canuto SRA. Theoretical study of the 'XP IND.3' (X = 'AL', 'B', 'GA') clusters [Internet]. Chemical Physics. 2012 ;399( 3): 22-27.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2011.06.004

  • Artigo de periodico

    Thiothionyl bromide (S='SBR IND. 2'): the elusive isomer of dibromodisulfane (BrSSBr) (2008)

    Ornellas, Fernando Rei

    Source: Chemical Physics. Unidade: IQ

    Subjects: ISÔMERO, FÍSICO-QUÍMICA

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      ORNELLAS, Fernando Rei. Thiothionyl bromide (S='SBR IND. 2'): the elusive isomer of dibromodisulfane (BrSSBr). Chemical Physics, v. 344, n. 1-2, p. 95-100, 2008Tradução . . Acesso em: 26 jan. 2026.

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      Ornellas, F. R. (2008). Thiothionyl bromide (S='SBR IND. 2'): the elusive isomer of dibromodisulfane (BrSSBr). Chemical Physics, 344( 1-2), 95-100.

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      Ornellas FR. Thiothionyl bromide (S='SBR IND. 2'): the elusive isomer of dibromodisulfane (BrSSBr). Chemical Physics. 2008 ;344( 1-2): 95-100.[citado 2026 jan. 26 ]

    • Vancouver

      Ornellas FR. Thiothionyl bromide (S='SBR IND. 2'): the elusive isomer of dibromodisulfane (BrSSBr). Chemical Physics. 2008 ;344( 1-2): 95-100.[citado 2026 jan. 26 ]

  • Artigo de periodico

    A theoretical study of the binding and electronic spectrum of the 'MO IND. 2' molecule (2008)

    Borin, Antonio Carlos ; Gobbo, João Paulo; Roos, Björn O.

    Source: Chemical Physics. Unidade: IQ

    Subjects: MOLIBDÊNIO, ESPECTROSCOPIA ELETRÔNICA

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      BORIN, Antonio Carlos e GOBBO, João Paulo e ROOS, Björn O. A theoretical study of the binding and electronic spectrum of the 'MO IND. 2' molecule. Chemical Physics, v. 343, n. 2-3, p. 210-216, 2008Tradução . . Acesso em: 26 jan. 2026.

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      Borin, A. C., Gobbo, J. P., & Roos, B. O. (2008). A theoretical study of the binding and electronic spectrum of the 'MO IND. 2' molecule. Chemical Physics, 343( 2-3), 210-216.

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      Borin AC, Gobbo JP, Roos BO. A theoretical study of the binding and electronic spectrum of the 'MO IND. 2' molecule. Chemical Physics. 2008 ;343( 2-3): 210-216.[citado 2026 jan. 26 ]

    • Vancouver

      Borin AC, Gobbo JP, Roos BO. A theoretical study of the binding and electronic spectrum of the 'MO IND. 2' molecule. Chemical Physics. 2008 ;343( 2-3): 210-216.[citado 2026 jan. 26 ]

  • Artigo de periodico

    A theoretical study on the Xe'F IND.2' molecule (2008)

    Haiduke, Roberto Luiz Andrade ; Martins Filho, Harley de Paiva; Silva, Alberico Borges Ferreira da

    Source: Chemical Physics. Unidade: IQSC

    Subjects: QUÍMICA, FÍSICA, GASES NOBRES

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      HAIDUKE, Roberto Luiz Andrade e MARTINS FILHO, Harley de Paiva e SILVA, Alberico Borges Ferreira da. A theoretical study on the Xe'F IND.2' molecule. Chemical Physics, v. 348, n. 1-3, p. 89-96, 2008Tradução . . Disponível em: http://www.sciencedirect.com/science/journal/03010104. Acesso em: 26 jan. 2026.

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      Haiduke, R. L. A., Martins Filho, H. de P., & Silva, A. B. F. da. (2008). A theoretical study on the Xe'F IND.2' molecule. Chemical Physics, 348( 1-3), 89-96. Recuperado de http://www.sciencedirect.com/science/journal/03010104

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      Haiduke RLA, Martins Filho H de P, Silva ABF da. A theoretical study on the Xe'F IND.2' molecule [Internet]. Chemical Physics. 2008 ; 348( 1-3): 89-96.[citado 2026 jan. 26 ] Available from: http://www.sciencedirect.com/science/journal/03010104

    • Vancouver

      Haiduke RLA, Martins Filho H de P, Silva ABF da. A theoretical study on the Xe'F IND.2' molecule [Internet]. Chemical Physics. 2008 ; 348( 1-3): 89-96.[citado 2026 jan. 26 ] Available from: http://www.sciencedirect.com/science/journal/03010104

  • Artigo de periodico

    Computational study of formamide-water complexes using the SAPT and AIM methods (2006)

    Parreira, Renato L. T.; Valdés, Haydee; Galembeck, Sérgio Emanuel

    Source: Chemical Physics. Unidade: FFCLRP

    Subjects: FÍSICO-QUÍMICA, SÍNTESE ORGÂNICA

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      PARREIRA, Renato L. T. e VALDÉS, Haydee e GALEMBECK, Sérgio Emanuel. Computational study of formamide-water complexes using the SAPT and AIM methods. Chemical Physics, v. 331, p. 96-110, 2006Tradução . . Disponível em: https://doi.org/10.1016/j.chemphys.2006.09.041. Acesso em: 26 jan. 2026.

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      Parreira, R. L. T., Valdés, H., & Galembeck, S. E. (2006). Computational study of formamide-water complexes using the SAPT and AIM methods. Chemical Physics, 331, 96-110. doi:10.1016/j.chemphys.2006.09.041

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      Parreira RLT, Valdés H, Galembeck SE. Computational study of formamide-water complexes using the SAPT and AIM methods [Internet]. Chemical Physics. 2006 ; 331 96-110.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2006.09.041

    • Vancouver

      Parreira RLT, Valdés H, Galembeck SE. Computational study of formamide-water complexes using the SAPT and AIM methods [Internet]. Chemical Physics. 2006 ; 331 96-110.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2006.09.041

  • Artigo de periodico

    The effect of constraints on the initial steps of adsorption of nitrogen atoms on the silicon surface as modeled by the cluster ['Si IND. 9''H IND. 12'+N] (2006)

    Ueno, Leonardo Tsuyoshi; Machado, Francisco Bolivar Correto; Ornellas, Fernando Rei

    Source: Chemical Physics. Unidade: IQ

    Subjects: FÍSICO-QUÍMICA, REAÇÕES QUÍMICAS

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      UENO, Leonardo Tsuyoshi e MACHADO, Francisco Bolivar Correto e ORNELLAS, Fernando Rei. The effect of constraints on the initial steps of adsorption of nitrogen atoms on the silicon surface as modeled by the cluster ['Si IND. 9''H IND. 12'+N]. Chemical Physics, v. 321, n. 3, p. 249-256, 2006Tradução . . Acesso em: 26 jan. 2026.

    • APA

      Ueno, L. T., Machado, F. B. C., & Ornellas, F. R. (2006). The effect of constraints on the initial steps of adsorption of nitrogen atoms on the silicon surface as modeled by the cluster ['Si IND. 9''H IND. 12'+N]. Chemical Physics, 321( 3), 249-256.

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      Ueno LT, Machado FBC, Ornellas FR. The effect of constraints on the initial steps of adsorption of nitrogen atoms on the silicon surface as modeled by the cluster ['Si IND. 9''H IND. 12'+N]. Chemical Physics. 2006 ; 321( 3): 249-256.[citado 2026 jan. 26 ]

    • Vancouver

      Ueno LT, Machado FBC, Ornellas FR. The effect of constraints on the initial steps of adsorption of nitrogen atoms on the silicon surface as modeled by the cluster ['Si IND. 9''H IND. 12'+N]. Chemical Physics. 2006 ; 321( 3): 249-256.[citado 2026 jan. 26 ]

  • Artigo de periodico

    Computational study of formamide water complexes using the SAPT and AIM methods (2006)

    Parreira, Renato Luis Tâme; Valdés, Haydee; Galembeck, Sérgio Emanuel

    Source: Chemical Physics. Unidade: FFCLRP

    Subjects: FÍSICO-QUÍMICA, SÍNTESE ORGÂNICA

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    • ABNT

      PARREIRA, Renato Luis Tâme e VALDÉS, Haydee e GALEMBECK, Sérgio Emanuel. Computational study of formamide water complexes using the SAPT and AIM methods. Chemical Physics, v. 331, p. 96-110, 2006Tradução . . Disponível em: https://doi.org/10.1016/j.chemphys.2006.09.041. Acesso em: 26 jan. 2026.

    • APA

      Parreira, R. L. T., Valdés, H., & Galembeck, S. E. (2006). Computational study of formamide water complexes using the SAPT and AIM methods. Chemical Physics, 331, 96-110. doi:10.1016/j.chemphys.2006.09.041

    • NLM

      Parreira RLT, Valdés H, Galembeck SE. Computational study of formamide water complexes using the SAPT and AIM methods [Internet]. Chemical Physics. 2006 ; 331 96-110.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2006.09.041

    • Vancouver

      Parreira RLT, Valdés H, Galembeck SE. Computational study of formamide water complexes using the SAPT and AIM methods [Internet]. Chemical Physics. 2006 ; 331 96-110.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2006.09.041

  • Artigo de periodico

    Amphiphilic aggregation in hydrogen bonding liquids: dynamic and equilibrium properties (2006)

    Girardi, M; Henriques, Vera Bohomoletz ; Figueiredo, W

    Source: Chemical Physics. Unidade: IF

    Assunto: MÉTODO DE MONTE CARLO

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      GIRARDI, M e HENRIQUES, Vera Bohomoletz e FIGUEIREDO, W. Amphiphilic aggregation in hydrogen bonding liquids: dynamic and equilibrium properties. Chemical Physics, v. 328, n. 1-3, p. 139-146, 2006Tradução . . Disponível em: https://doi.org/10.1016/j.chemphys.2006.06.020. Acesso em: 26 jan. 2026.

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      Girardi, M., Henriques, V. B., & Figueiredo, W. (2006). Amphiphilic aggregation in hydrogen bonding liquids: dynamic and equilibrium properties. Chemical Physics, 328( 1-3), 139-146. doi:10.1016/j.chemphys.2006.06.020

    • NLM

      Girardi M, Henriques VB, Figueiredo W. Amphiphilic aggregation in hydrogen bonding liquids: dynamic and equilibrium properties [Internet]. Chemical Physics. 2006 ; 328( 1-3): 139-146.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2006.06.020

    • Vancouver

      Girardi M, Henriques VB, Figueiredo W. Amphiphilic aggregation in hydrogen bonding liquids: dynamic and equilibrium properties [Internet]. Chemical Physics. 2006 ; 328( 1-3): 139-146.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2006.06.020

  • Artigo de periodico

    The employment of relativistic adapted Gaussian basis sets in Douglas-Kroll-Hess scalar calculations with diatomic molecules (2006)

    Haiduke, Roberto Luiz Andrade ; Comar Junior, Moacyr; Silva, Alberico Borges Ferreira da

    Source: Chemical Physics. Unidade: IQSC

    Assunto: QUÍMICA

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    • ABNT

      HAIDUKE, Roberto Luiz Andrade e COMAR JUNIOR, Moacyr e SILVA, Alberico Borges Ferreira da. The employment of relativistic adapted Gaussian basis sets in Douglas-Kroll-Hess scalar calculations with diatomic molecules. Chemical Physics, v. 331, n. 1, p. 173-177, 2006Tradução . . Disponível em: https://doi.org/10.1016/j.chemphys.2006.10.009. Acesso em: 26 jan. 2026.

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      Haiduke, R. L. A., Comar Junior, M., & Silva, A. B. F. da. (2006). The employment of relativistic adapted Gaussian basis sets in Douglas-Kroll-Hess scalar calculations with diatomic molecules. Chemical Physics, 331( 1), 173-177. doi:10.1016/j.chemphys.2006.10.009

    • NLM

      Haiduke RLA, Comar Junior M, Silva ABF da. The employment of relativistic adapted Gaussian basis sets in Douglas-Kroll-Hess scalar calculations with diatomic molecules [Internet]. Chemical Physics. 2006 ; 331( 1): 173-177.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2006.10.009

    • Vancouver

      Haiduke RLA, Comar Junior M, Silva ABF da. The employment of relativistic adapted Gaussian basis sets in Douglas-Kroll-Hess scalar calculations with diatomic molecules [Internet]. Chemical Physics. 2006 ; 331( 1): 173-177.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2006.10.009

  • Artigo de periodico

    Transition state structure, energetics, and rate constants for the CH4+F(P-2)-> CH3+HF reaction (2005)

    Roberto-Neto, Orlando; Machado, Francisco Bolivar Correto; Ornellas, Fernando Rei

    Source: Chemical Physics. Unidade: IQ

    Subjects: FÍSICO-QUÍMICA, ELETRÔNICA

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    • ABNT

      ROBERTO-NETO, Orlando e MACHADO, Francisco Bolivar Correto e ORNELLAS, Fernando Rei. Transition state structure, energetics, and rate constants for the CH4+F(P-2)-> CH3+HF reaction. Chemical Physics, v. 315, n. 1-2, p. 27-34, 2005Tradução . . Disponível em: https://doi.org/10.1016/j.chemphys.2005.01.032. Acesso em: 26 jan. 2026.

    • APA

      Roberto-Neto, O., Machado, F. B. C., & Ornellas, F. R. (2005). Transition state structure, energetics, and rate constants for the CH4+F(P-2)-> CH3+HF reaction. Chemical Physics, 315( 1-2), 27-34. doi:10.1016/j.chemphys.2005.01.032

    • NLM

      Roberto-Neto O, Machado FBC, Ornellas FR. Transition state structure, energetics, and rate constants for the CH4+F(P-2)-> CH3+HF reaction [Internet]. Chemical Physics. 2005 ; 315( 1-2): 27-34.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2005.01.032

    • Vancouver

      Roberto-Neto O, Machado FBC, Ornellas FR. Transition state structure, energetics, and rate constants for the CH4+F(P-2)-> CH3+HF reaction [Internet]. Chemical Physics. 2005 ; 315( 1-2): 27-34.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2005.01.032

  • Artigo de periodico

    A charge-charge flux-dipole flux decomposition of the dipole moment derivatives and infrared intensities of the AB(3) (A = N, P; B = H, F) molecules (2005)

    César, Paulo H.; Faria, Sérgio H. D. M.; Silva Jr., João V. da; Haiduke, Roberto Luiz Andrade ; Bruns, Roy Edward

    Source: Chemical Physics. Unidade: IQ

    Subjects: QUÍMICA ORGÂNICA, ESTRUTURA ELETRÔNICA

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    • ABNT

      CÉSAR, Paulo H. et al. A charge-charge flux-dipole flux decomposition of the dipole moment derivatives and infrared intensities of the AB(3) (A = N, P; B = H, F) molecules. Chemical Physics, v. 317, n. 1, p. 35-42, 2005Tradução . . Disponível em: https://doi.org/10.1016/j.chemphys.2005.05.029. Acesso em: 26 jan. 2026.

    • APA

      César, P. H., Faria, S. H. D. M., Silva Jr., J. V. da, Haiduke, R. L. A., & Bruns, R. E. (2005). A charge-charge flux-dipole flux decomposition of the dipole moment derivatives and infrared intensities of the AB(3) (A = N, P; B = H, F) molecules. Chemical Physics, 317( 1), 35-42. doi:10.1016/j.chemphys.2005.05.029

    • NLM

      César PH, Faria SHDM, Silva Jr. JV da, Haiduke RLA, Bruns RE. A charge-charge flux-dipole flux decomposition of the dipole moment derivatives and infrared intensities of the AB(3) (A = N, P; B = H, F) molecules [Internet]. Chemical Physics. 2005 ; 317( 1): 35-42.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2005.05.029

    • Vancouver

      César PH, Faria SHDM, Silva Jr. JV da, Haiduke RLA, Bruns RE. A charge-charge flux-dipole flux decomposition of the dipole moment derivatives and infrared intensities of the AB(3) (A = N, P; B = H, F) molecules [Internet]. Chemical Physics. 2005 ; 317( 1): 35-42.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1016/j.chemphys.2005.05.029

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