ReP USP - Resultado da busca

Artigo de periodico
Direct dynamics investigation of the reaction S('ANTPOT. 3 P') + 'C''H IND. 4' 'SETA' 'C''H IND. 3' + 'S''H'('ANTPOT. 2'pi'') (2014)
Alves, Tiago Vinicius; Alves, Marcel Martins; Roberto Neto, Orlando; Ornellas, Fernando Rei
Source: Chemical Physics Letters. Unidade: IQ
Assunto: FÍSICO-QUÍMICA
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ABNT
ALVES, Tiago Vinicius et al. Direct dynamics investigation of the reaction S('ANTPOT. 3 P') + 'C''H IND. 4' 'SETA' 'C''H IND. 3' + 'S''H'('ANTPOT. 2'pi''). Chemical Physics Letters, v. 591, p. 103-108, 2014Tradução . . Disponível em: https://doi.org/10.1016/j.cplett.2013.11.011. Acesso em: 03 nov. 2025.
APA
Alves, T. V., Alves, M. M., Roberto Neto, O., & Ornellas, F. R. (2014). Direct dynamics investigation of the reaction S('ANTPOT. 3 P') + 'C''H IND. 4' 'SETA' 'C''H IND. 3' + 'S''H'('ANTPOT. 2'pi''). Chemical Physics Letters, 591, 103-108. doi:10.1016/j.cplett.2013.11.011
NLM
Alves TV, Alves MM, Roberto Neto O, Ornellas FR. Direct dynamics investigation of the reaction S('ANTPOT. 3 P') + 'C''H IND. 4' 'SETA' 'C''H IND. 3' + 'S''H'('ANTPOT. 2'pi'') [Internet]. Chemical Physics Letters. 2014 ; 591 103-108.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1016/j.cplett.2013.11.011
Vancouver
Alves TV, Alves MM, Roberto Neto O, Ornellas FR. Direct dynamics investigation of the reaction S('ANTPOT. 3 P') + 'C''H IND. 4' 'SETA' 'C''H IND. 3' + 'S''H'('ANTPOT. 2'pi'') [Internet]. Chemical Physics Letters. 2014 ; 591 103-108.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1016/j.cplett.2013.11.011
Artigo de periodico
Energetic, structural, and kinetic characterization of the hydrogen abstraction reaction N('ANTPOT 4'S)+'CH IND. 4' -> NH('X POT. 3''sigma POT.-')+'CH IND. 3' (2006)
Roberto-Neto, Orlando; Ornellas, Fernando Rei ; Machado, Francisco Bolivar Correto
Source: Chemical Physics Letters. Unidade: IQ
Assunto: FÍSICO-QUÍMICA
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ABNT
ROBERTO-NETO, Orlando e ORNELLAS, Fernando Rei e MACHADO, Francisco Bolivar Correto. Energetic, structural, and kinetic characterization of the hydrogen abstraction reaction N('ANTPOT 4'S)+'CH IND. 4' -> NH('X POT. 3''sigma POT.-')+'CH IND. 3'. Chemical Physics Letters, v. 432, n. 4-6, p. 403-408, 2006Tradução . . Acesso em: 03 nov. 2025.
APA
Roberto-Neto, O., Ornellas, F. R., & Machado, F. B. C. (2006). Energetic, structural, and kinetic characterization of the hydrogen abstraction reaction N('ANTPOT 4'S)+'CH IND. 4' -> NH('X POT. 3''sigma POT.-')+'CH IND. 3'. Chemical Physics Letters, 432( 4-6), 403-408.
NLM
Roberto-Neto O, Ornellas FR, Machado FBC. Energetic, structural, and kinetic characterization of the hydrogen abstraction reaction N('ANTPOT 4'S)+'CH IND. 4' -> NH('X POT. 3''sigma POT.-')+'CH IND. 3'. Chemical Physics Letters. 2006 ; 432( 4-6): 403-408.[citado 2025 nov. 03 ]
Vancouver
Roberto-Neto O, Ornellas FR, Machado FBC. Energetic, structural, and kinetic characterization of the hydrogen abstraction reaction N('ANTPOT 4'S)+'CH IND. 4' -> NH('X POT. 3''sigma POT.-')+'CH IND. 3'. Chemical Physics Letters. 2006 ; 432( 4-6): 403-408.[citado 2025 nov. 03 ]
Artigo de periodico
Transition probabilities and spectroscopic properties of the low-lying states of GeC molecule (2006)
Ueno, Leonardo Tsuyoshi; Marim, Luiz Roberto; Pino Júnior, Arnaldo Dal; Ornellas, Fernando Rei ; Machado, Francisco Bolivar Correto
Source: Chemical Physics Letters. Unidade: IQ
Assunto: FÍSICO-QUÍMICA
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ABNT
UENO, Leonardo Tsuyoshi et al. Transition probabilities and spectroscopic properties of the low-lying states of GeC molecule. Chemical Physics Letters, v. 432, n. 1-3, p. 11-16, 2006Tradução . . Disponível em: https://doi.org/10.1016/j.cplett.2006.10.022. Acesso em: 03 nov. 2025.
APA
Ueno, L. T., Marim, L. R., Pino Júnior, A. D., Ornellas, F. R., & Machado, F. B. C. (2006). Transition probabilities and spectroscopic properties of the low-lying states of GeC molecule. Chemical Physics Letters, 432( 1-3), 11-16. doi:10.1016/j.cplett.2006.10.022
NLM
Ueno LT, Marim LR, Pino Júnior AD, Ornellas FR, Machado FBC. Transition probabilities and spectroscopic properties of the low-lying states of GeC molecule [Internet]. Chemical Physics Letters. 2006 ; 432( 1-3): 11-16.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1016/j.cplett.2006.10.022
Vancouver
Ueno LT, Marim LR, Pino Júnior AD, Ornellas FR, Machado FBC. Transition probabilities and spectroscopic properties of the low-lying states of GeC molecule [Internet]. Chemical Physics Letters. 2006 ; 432( 1-3): 11-16.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1016/j.cplett.2006.10.022
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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ABNT
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: 03 nov. 2025.
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.
NLM
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 2025 nov. 03 ]
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 2025 nov. 03 ]
Artigo de periodico
Dual-level direct dynamics calculations of kinetic isotope effects for the 'CH IND. 4'+F 'arrow' 'CH IND.3'+ HF abstraction reaction (2005)
Roberto-Neto, Orlando; Machado, Francisco Bolivar Correto; Ornellas, Fernando Rei
Source: Chemical Physics Letters. Unidade: IQ
Assunto: FÍSICO-QUÍMICA
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ABNT
ROBERTO-NETO, Orlando e MACHADO, Francisco Bolivar Correto e ORNELLAS, Fernando Rei. Dual-level direct dynamics calculations of kinetic isotope effects for the 'CH IND. 4'+F 'arrow' 'CH IND.3'+ HF abstraction reaction. Chemical Physics Letters, v. 409, n. 1-3, p. 38-42, 2005Tradução . . Acesso em: 03 nov. 2025.
APA
Roberto-Neto, O., Machado, F. B. C., & Ornellas, F. R. (2005). Dual-level direct dynamics calculations of kinetic isotope effects for the 'CH IND. 4'+F 'arrow' 'CH IND.3'+ HF abstraction reaction. Chemical Physics Letters, 409( 1-3), 38-42.
NLM
Roberto-Neto O, Machado FBC, Ornellas FR. Dual-level direct dynamics calculations of kinetic isotope effects for the 'CH IND. 4'+F 'arrow' 'CH IND.3'+ HF abstraction reaction. Chemical Physics Letters. 2005 ; 409( 1-3): 38-42.[citado 2025 nov. 03 ]
Vancouver
Roberto-Neto O, Machado FBC, Ornellas FR. Dual-level direct dynamics calculations of kinetic isotope effects for the 'CH IND. 4'+F 'arrow' 'CH IND.3'+ HF abstraction reaction. Chemical Physics Letters. 2005 ; 409( 1-3): 38-42.[citado 2025 nov. 03 ]
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: 03 nov. 2025.
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 2025 nov. 03 ] 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 2025 nov. 03 ] Available from: https://doi.org/10.1016/j.chemphys.2005.01.032
Trabalho de evento-resumo
A coupled cluster with infinite basis (IB) extrapolation study of the X + 'CH IND.4' 'arrow' XH +'CH IND. 3'(X = N, O, F, Cl, Br) reactions (2005)
Roberto-Neto, Orlando; Ornellas, Fernando Rei ; Machado, Francisco Bolivar Correto
Source: Livro de Resumos. Conference titles: Simpósio Brasileiro de Química Teórica. Unidade: IQ
Subjects: FÍSICO-QUÍMICA, REAÇÕES QUÍMICAS
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ABNT
ROBERTO-NETO, Orlando e ORNELLAS, Fernando Rei e MACHADO, Francisco Bolivar Correto. A coupled cluster with infinite basis (IB) extrapolation study of the X + 'CH IND.4' 'arrow' XH +'CH IND. 3'(X = N, O, F, Cl, Br) reactions. 2005, Anais.. São Paulo: Sociedade Brasileira de Química Teórica, 2005. . Acesso em: 03 nov. 2025.
APA
Roberto-Neto, O., Ornellas, F. R., & Machado, F. B. C. (2005). A coupled cluster with infinite basis (IB) extrapolation study of the X + 'CH IND.4' 'arrow' XH +'CH IND. 3'(X = N, O, F, Cl, Br) reactions. In Livro de Resumos. São Paulo: Sociedade Brasileira de Química Teórica.
NLM
Roberto-Neto O, Ornellas FR, Machado FBC. A coupled cluster with infinite basis (IB) extrapolation study of the X + 'CH IND.4' 'arrow' XH +'CH IND. 3'(X = N, O, F, Cl, Br) reactions. Livro de Resumos. 2005 ;[citado 2025 nov. 03 ]
Vancouver
Roberto-Neto O, Ornellas FR, Machado FBC. A coupled cluster with infinite basis (IB) extrapolation study of the X + 'CH IND.4' 'arrow' XH +'CH IND. 3'(X = N, O, F, Cl, Br) reactions. Livro de Resumos. 2005 ;[citado 2025 nov. 03 ]
Artigo de periodico
Radiative transition probabilities and lifetimes for the band systems (1) (3)Pi-X (3)Sigma(-) and (2) (3)Sigma(-)-X (3)Sigma(-) of the isovalent molecules BeC, MgC, and CaC (2004)
Pelegrini, Marina; Roberto Neto, Orlando; Ornellas, Fernando Rei ; Machado, Francisco Bolivar Correto
Source: Chemical Physics Letters. Unidade: IQ
Subjects: FÍSICO-QUÍMICA, ELETRÔNICA
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ABNT
PELEGRINI, Marina et al. Radiative transition probabilities and lifetimes for the band systems (1) (3)Pi-X (3)Sigma(-) and (2) (3)Sigma(-)-X (3)Sigma(-) of the isovalent molecules BeC, MgC, and CaC. Chemical Physics Letters, v. 383, n. 1-2, p. 143-148, 2004Tradução . . Acesso em: 03 nov. 2025.
APA
Pelegrini, M., Roberto Neto, O., Ornellas, F. R., & Machado, F. B. C. (2004). Radiative transition probabilities and lifetimes for the band systems (1) (3)Pi-X (3)Sigma(-) and (2) (3)Sigma(-)-X (3)Sigma(-) of the isovalent molecules BeC, MgC, and CaC. Chemical Physics Letters, 383( 1-2), 143-148.
NLM
Pelegrini M, Roberto Neto O, Ornellas FR, Machado FBC. Radiative transition probabilities and lifetimes for the band systems (1) (3)Pi-X (3)Sigma(-) and (2) (3)Sigma(-)-X (3)Sigma(-) of the isovalent molecules BeC, MgC, and CaC. Chemical Physics Letters. 2004 ; 383( 1-2): 143-148.[citado 2025 nov. 03 ]
Vancouver
Pelegrini M, Roberto Neto O, Ornellas FR, Machado FBC. Radiative transition probabilities and lifetimes for the band systems (1) (3)Pi-X (3)Sigma(-) and (2) (3)Sigma(-)-X (3)Sigma(-) of the isovalent molecules BeC, MgC, and CaC. Chemical Physics Letters. 2004 ; 383( 1-2): 143-148.[citado 2025 nov. 03 ]
Artigo de periodico
The low-lying eletronic states of PCI (2004)
Silva-Neto, Artur Gomes da; Roberto-Neto, Orlando; Ornellas, Fernando Rei ; Machado, Francisco Bolivar Correto
Source: Chemical Physics Letters. Unidade: IQ
Assunto: FÍSICO-QUÍMICA
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ABNT
SILVA-NETO, Artur Gomes da et al. The low-lying eletronic states of PCI. Chemical Physics Letters, v. 395, n. 4-6, p. 239-245, 2004Tradução . . Disponível em: https://doi.org/10.1016/j.cplett.2004.07.084. Acesso em: 03 nov. 2025.
APA
Silva-Neto, A. G. da, Roberto-Neto, O., Ornellas, F. R., & Machado, F. B. C. (2004). The low-lying eletronic states of PCI. Chemical Physics Letters, 395( 4-6), 239-245. doi:10.1016/j.cplett.2004.07.084
NLM
Silva-Neto AG da, Roberto-Neto O, Ornellas FR, Machado FBC. The low-lying eletronic states of PCI [Internet]. Chemical Physics Letters. 2004 ; 395( 4-6): 239-245.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1016/j.cplett.2004.07.084
Vancouver
Silva-Neto AG da, Roberto-Neto O, Ornellas FR, Machado FBC. The low-lying eletronic states of PCI [Internet]. Chemical Physics Letters. 2004 ; 395( 4-6): 239-245.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1016/j.cplett.2004.07.084
Trabalho de evento-resumo
Density functional study of nitrogen adsorption onto Si(100) surface (2003)
Ueno, Leonardo T.; Ornellas, Fernando Rei
Source: Livro de Resumos. Conference titles: Simpósio Brasileiro de Química Teórica. Unidade: IQ
Subjects: FÍSICO-QUÍMICA, QUÍMICA TEÓRICA
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ABNT
UENO, Leonardo T. e ORNELLAS, Fernando Rei. Density functional study of nitrogen adsorption onto Si(100) surface. 2003, Anais.. Caxambu: Instituto de Química, Universidade de São Paulo, 2003. . Acesso em: 03 nov. 2025.
APA
Ueno, L. T., & Ornellas, F. R. (2003). Density functional study of nitrogen adsorption onto Si(100) surface. In Livro de Resumos. Caxambu: Instituto de Química, Universidade de São Paulo.
NLM
Ueno LT, Ornellas FR. Density functional study of nitrogen adsorption onto Si(100) surface. Livro de Resumos. 2003 ;[citado 2025 nov. 03 ]
Vancouver
Ueno LT, Ornellas FR. Density functional study of nitrogen adsorption onto Si(100) surface. Livro de Resumos. 2003 ;[citado 2025 nov. 03 ]
Artigo de periodico
A high level theoretical investigation of the 'N IND. 2''O IND. 4' "seta" 2 N'O IND. 2' dissociation reaction: is there a transition state? (2003)
Ornellas, Fernando Rei ; Resende, Stella Maris; Machado, Francisco Bolivar Correto; Roberto Neto, Orlando
Source: Journal of Chemical Physics. Unidade: IQ
Subjects: FÍSICO-QUÍMICA, TEMPERATURA, DINÂMICA
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ABNT
ORNELLAS, Fernando Rei et al. A high level theoretical investigation of the 'N IND. 2''O IND. 4' "seta" 2 N'O IND. 2' dissociation reaction: is there a transition state?. Journal of Chemical Physics, v. 118, n. 9, p. 4060-4065, 2003Tradução . . Acesso em: 03 nov. 2025.
APA
Ornellas, F. R., Resende, S. M., Machado, F. B. C., & Roberto Neto, O. (2003). A high level theoretical investigation of the 'N IND. 2''O IND. 4' "seta" 2 N'O IND. 2' dissociation reaction: is there a transition state? Journal of Chemical Physics, 118( 9), 4060-4065.
NLM
Ornellas FR, Resende SM, Machado FBC, Roberto Neto O. A high level theoretical investigation of the 'N IND. 2''O IND. 4' "seta" 2 N'O IND. 2' dissociation reaction: is there a transition state? Journal of Chemical Physics. 2003 ; 118( 9): 4060-4065.[citado 2025 nov. 03 ]
Vancouver
Ornellas FR, Resende SM, Machado FBC, Roberto Neto O. A high level theoretical investigation of the 'N IND. 2''O IND. 4' "seta" 2 N'O IND. 2' dissociation reaction: is there a transition state? Journal of Chemical Physics. 2003 ; 118( 9): 4060-4065.[citado 2025 nov. 03 ]
Artigo de periodico
Radiative transition probabilities and lifetimes for the band systems `A POT. 2´II-`X POT. 2´`sigma POT. +´ and `C POT. 2´`sigma POT. +´-`X POT. 2´`sigma POT. +´ of the BeH molecule (1999)
Machado, Francisco B. C.; Roberto Neto, O.; Ornellas, Fernando Rei
Source: Chemical Physics Letters. Unidade: IQ
Assunto: FÍSICO-QUÍMICA
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ABNT
MACHADO, Francisco B. C. e ROBERTO NETO, O. e ORNELLAS, Fernando Rei. Radiative transition probabilities and lifetimes for the band systems `A POT. 2´II-`X POT. 2´`sigma POT. +´ and `C POT. 2´`sigma POT. +´-`X POT. 2´`sigma POT. +´ of the BeH molecule. Chemical Physics Letters, v. 305, n. 1/2, p. 156-162, 1999Tradução . . Acesso em: 03 nov. 2025.
APA
Machado, F. B. C., Roberto Neto, O., & Ornellas, F. R. (1999). Radiative transition probabilities and lifetimes for the band systems `A POT. 2´II-`X POT. 2´`sigma POT. +´ and `C POT. 2´`sigma POT. +´-`X POT. 2´`sigma POT. +´ of the BeH molecule. Chemical Physics Letters, 305( 1/2), 156-162.
NLM
Machado FBC, Roberto Neto O, Ornellas FR. Radiative transition probabilities and lifetimes for the band systems `A POT. 2´II-`X POT. 2´`sigma POT. +´ and `C POT. 2´`sigma POT. +´-`X POT. 2´`sigma POT. +´ of the BeH molecule. Chemical Physics Letters. 1999 ; 305( 1/2): 156-162.[citado 2025 nov. 03 ]
Vancouver
Machado FBC, Roberto Neto O, Ornellas FR. Radiative transition probabilities and lifetimes for the band systems `A POT. 2´II-`X POT. 2´`sigma POT. +´ and `C POT. 2´`sigma POT. +´-`X POT. 2´`sigma POT. +´ of the BeH molecule. Chemical Physics Letters. 1999 ; 305( 1/2): 156-162.[citado 2025 nov. 03 ]

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