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Artigo de periodico
Electronic states and spectroscopic parameters of the iodocarbyne cation, CI+ (2021)
Melo, Gabriel Fernando de ; Belinassi, Antonio Ricardo ; Passos, Maiara Oliveira; Ornellas, Fernando Rei ; Alves, Tiago Vinicius
Source: Chemical Physics Letters. Unidade: IQ
Subjects: ESPECTROSCOPIA, FÍSICO-QUÍMICA
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ABNT
MELO, Gabriel Fernando de et al. Electronic states and spectroscopic parameters of the iodocarbyne cation, CI+. Chemical Physics Letters, v. 771, p. 1-6 art. 138514, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.cplett.2021.138514. Acesso em: 14 nov. 2024.
APA
Melo, G. F. de, Belinassi, A. R., Passos, M. O., Ornellas, F. R., & Alves, T. V. (2021). Electronic states and spectroscopic parameters of the iodocarbyne cation, CI+. Chemical Physics Letters, 771, 1-6 art. 138514. doi:10.1016/j.cplett.2021.138514
NLM
Melo GF de, Belinassi AR, Passos MO, Ornellas FR, Alves TV. Electronic states and spectroscopic parameters of the iodocarbyne cation, CI+ [Internet]. Chemical Physics Letters. 2021 ; 771 1-6 art. 138514.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1016/j.cplett.2021.138514
Vancouver
Melo GF de, Belinassi AR, Passos MO, Ornellas FR, Alves TV. Electronic states and spectroscopic parameters of the iodocarbyne cation, CI+ [Internet]. Chemical Physics Letters. 2021 ; 771 1-6 art. 138514.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1016/j.cplett.2021.138514
Artigo de periodico
Metastability of the low-lying electronic states of CBr2+: a CASSCF/MRCI study (2017)
Lins, Igor Araujo; Belinassi, Antonio Ricardo; Ornellas, Fernando Rei ; Alves, Tiago Vinicius
Source: Chemical Physics Letters. Unidade: IQ
Subjects: FÍSICO-QUÍMICA, HALOGÊNIOS
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ABNT
LINS, Igor Araujo et al. Metastability of the low-lying electronic states of CBr2+: a CASSCF/MRCI study. Chemical Physics Letters, v. 682, p. 108-114, 2017Tradução . . Disponível em: https://doi.org/10.1016/j.cplett.2017.05.061. Acesso em: 14 nov. 2024.
APA
Lins, I. A., Belinassi, A. R., Ornellas, F. R., & Alves, T. V. (2017). Metastability of the low-lying electronic states of CBr2+: a CASSCF/MRCI study. Chemical Physics Letters, 682, 108-114. doi:10.1016/j.cplett.2017.05.061
NLM
Lins IA, Belinassi AR, Ornellas FR, Alves TV. Metastability of the low-lying electronic states of CBr2+: a CASSCF/MRCI study [Internet]. Chemical Physics Letters. 2017 ; 682 108-114.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1016/j.cplett.2017.05.061
Vancouver
Lins IA, Belinassi AR, Ornellas FR, Alves TV. Metastability of the low-lying electronic states of CBr2+: a CASSCF/MRCI study [Internet]. Chemical Physics Letters. 2017 ; 682 108-114.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1016/j.cplett.2017.05.061
Trabalho de evento-resumo
Metastability of the low-lying electronic states of 'CBr POT. 2+': a CASSCF/MRCI study (2017)
Lins, Igor Araújo; Belinassi, Antonio Ricardo; Ornellas, Fernando Rei ; Alves, Tiago Vinicius
Source: Abstracts. Conference titles: Triennial Congress of the World Association of Theoretical and Computational Chemists/WATOC. Unidade: IQ
Subjects: FÍSICO-QUÍMICA, HALOGÊNIOS
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ABNT
LINS, Igor Araújo et al. Metastability of the low-lying electronic states of 'CBr POT. 2+': a CASSCF/MRCI study. 2017, Anais.. Munich: Ludwig Maximilians Universität, 2017. . Acesso em: 14 nov. 2024.
APA
Lins, I. A., Belinassi, A. R., Ornellas, F. R., & Alves, T. V. (2017). Metastability of the low-lying electronic states of 'CBr POT. 2+': a CASSCF/MRCI study. In Abstracts. Munich: Ludwig Maximilians Universität.
NLM
Lins IA, Belinassi AR, Ornellas FR, Alves TV. Metastability of the low-lying electronic states of 'CBr POT. 2+': a CASSCF/MRCI study. Abstracts. 2017 ;[citado 2024 nov. 14 ]
Vancouver
Lins IA, Belinassi AR, Ornellas FR, Alves TV. Metastability of the low-lying electronic states of 'CBr POT. 2+': a CASSCF/MRCI study. Abstracts. 2017 ;[citado 2024 nov. 14 ]
Artigo de periodico
Electronic states and spectroscopic parameters of selenium monoiodide, SeI: a theoretical contribution (2017)
Belinassi, Antonio Ricardo; Alves, Tiago Vinicius; Ornellas, Fernando Rei
Source: Chemical Physics Letters. Unidade: IQ
Subjects: SELÊNIO, QUÍMICA TEÓRICA, FÍSICO-QUÍMICA
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ABNT
BELINASSI, Antonio Ricardo e ALVES, Tiago Vinicius e ORNELLAS, Fernando Rei. Electronic states and spectroscopic parameters of selenium monoiodide, SeI: a theoretical contribution. Chemical Physics Letters, v. 671, p. 78-83, 2017Tradução . . Disponível em: https://doi.org/10.1016/j.cplett.2017.01.013. Acesso em: 14 nov. 2024.
APA
Belinassi, A. R., Alves, T. V., & Ornellas, F. R. (2017). Electronic states and spectroscopic parameters of selenium monoiodide, SeI: a theoretical contribution. Chemical Physics Letters, 671, 78-83. doi:10.1016/j.cplett.2017.01.013
NLM
Belinassi AR, Alves TV, Ornellas FR. Electronic states and spectroscopic parameters of selenium monoiodide, SeI: a theoretical contribution [Internet]. Chemical Physics Letters. 2017 ; 671 78-83.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1016/j.cplett.2017.01.013
Vancouver
Belinassi AR, Alves TV, Ornellas FR. Electronic states and spectroscopic parameters of selenium monoiodide, SeI: a theoretical contribution [Internet]. Chemical Physics Letters. 2017 ; 671 78-83.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1016/j.cplett.2017.01.013
Artigo de periodico
Silanol-assisted carbinolamine formation in an amine-functionalized mesoporous silica surface: theoretical investigation by fragmentation methods (2016)
Batista, Ana Paula de Lima; Zahariev, Federico; Slowing, Igor I; Braga, Ataualpa Albert Carmo ; Ornellas, Fernando Rei ; Gordon, Mark S
Source: Journal of Physical Chemistry B. Unidade: IQ
Subjects: FÍSICO-QUÍMICA, CATÁLISE
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ABNT
BATISTA, Ana Paula de Lima et al. Silanol-assisted carbinolamine formation in an amine-functionalized mesoporous silica surface: theoretical investigation by fragmentation methods. Journal of Physical Chemistry B, v. 120, n. 8, p. 1660-1669, 2016Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcb.5b08446. Acesso em: 14 nov. 2024.
APA
Batista, A. P. de L., Zahariev, F., Slowing, I. I., Braga, A. A. C., Ornellas, F. R., & Gordon, M. S. (2016). Silanol-assisted carbinolamine formation in an amine-functionalized mesoporous silica surface: theoretical investigation by fragmentation methods. Journal of Physical Chemistry B, 120( 8), 1660-1669. doi:10.1021/acs.jpcb.5b08446
NLM
Batista AP de L, Zahariev F, Slowing II, Braga AAC, Ornellas FR, Gordon MS. Silanol-assisted carbinolamine formation in an amine-functionalized mesoporous silica surface: theoretical investigation by fragmentation methods [Internet]. Journal of Physical Chemistry B. 2016 ; 120( 8): 1660-1669.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1021/acs.jpcb.5b08446
Vancouver
Batista AP de L, Zahariev F, Slowing II, Braga AAC, Ornellas FR, Gordon MS. Silanol-assisted carbinolamine formation in an amine-functionalized mesoporous silica surface: theoretical investigation by fragmentation methods [Internet]. Journal of Physical Chemistry B. 2016 ; 120( 8): 1660-1669.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1021/acs.jpcb.5b08446
Artigo de periodico
Hindered rotor tunneling splittings: an application of the two-dimensional non-separable method to benzyl alcohol and two of its fluorine derivatives (2016)
Alves, Tiago Vinicius; Simon Carballido, Luis; Ornellas, Fernando Rei ; Fernández Ramos, Antonio
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: FÍSICO-QUÍMICA, INTERAÇÃO QUÍMICA
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ABNT
ALVES, Tiago Vinicius et al. Hindered rotor tunneling splittings: an application of the two-dimensional non-separable method to benzyl alcohol and two of its fluorine derivatives. Physical Chemistry Chemical Physics, v. 18, p. 8945-8953, 2016Tradução . . Disponível em: https://doi.org/10.1039/c5cp05307b. Acesso em: 14 nov. 2024.
APA
Alves, T. V., Simon Carballido, L., Ornellas, F. R., & Fernández Ramos, A. (2016). Hindered rotor tunneling splittings: an application of the two-dimensional non-separable method to benzyl alcohol and two of its fluorine derivatives. Physical Chemistry Chemical Physics, 18, 8945-8953. doi:10.1039/c5cp05307b
NLM
Alves TV, Simon Carballido L, Ornellas FR, Fernández Ramos A. Hindered rotor tunneling splittings: an application of the two-dimensional non-separable method to benzyl alcohol and two of its fluorine derivatives [Internet]. Physical Chemistry Chemical Physics. 2016 ; 18 8945-8953.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1039/c5cp05307b
Vancouver
Alves TV, Simon Carballido L, Ornellas FR, Fernández Ramos A. Hindered rotor tunneling splittings: an application of the two-dimensional non-separable method to benzyl alcohol and two of its fluorine derivatives [Internet]. Physical Chemistry Chemical Physics. 2016 ; 18 8945-8953.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1039/c5cp05307b
Trabalho de evento-resumo
Halocarbinos: um estudo teórico de estrutura eletrônica (2015)
Pereira, Paulo Henrique de Lima; Ornellas, Fernando Rei
Source: Resumos. Conference titles: Simpósio Internacional de Iniciação Científica da USP (SIICUSP). Unidade: IQ
Assunto: FÍSICO-QUÍMICA
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ABNT
PEREIRA, Paulo Henrique de Lima e ORNELLAS, Fernando Rei. Halocarbinos: um estudo teórico de estrutura eletrônica. 2015, Anais.. São Paulo: Pró-Reitoria de Pesquisa/USP, 2015. . Acesso em: 14 nov. 2024.
APA
Pereira, P. H. de L., & Ornellas, F. R. (2015). Halocarbinos: um estudo teórico de estrutura eletrônica. In Resumos. São Paulo: Pró-Reitoria de Pesquisa/USP.
NLM
Pereira PH de L, Ornellas FR. Halocarbinos: um estudo teórico de estrutura eletrônica. Resumos. 2015 ;[citado 2024 nov. 14 ]
Vancouver
Pereira PH de L, Ornellas FR. Halocarbinos: um estudo teórico de estrutura eletrônica. Resumos. 2015 ;[citado 2024 nov. 14 ]
Artigo de periodico
CASSCF and MRMP2 investigation of the interaction of arsenic adatoms with carbon dimers on the diamond (100)-2 x 1 surface (2015)
Batista, Ana Paula de Lima; Ornellas, Fernando Rei
Source: Surface Science. Unidade: IQ
Subjects: FÍSICO-QUÍMICA, QUÍMICA DE SUPERFÍCIE
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ABNT
BATISTA, Ana Paula de Lima e ORNELLAS, Fernando Rei. CASSCF and MRMP2 investigation of the interaction of arsenic adatoms with carbon dimers on the diamond (100)-2 x 1 surface. Surface Science, v. 641, p. 159-165, 2015Tradução . . Disponível em: https://doi.org/10.1016/j.susc.2015.06.018. Acesso em: 14 nov. 2024.
APA
Batista, A. P. de L., & Ornellas, F. R. (2015). CASSCF and MRMP2 investigation of the interaction of arsenic adatoms with carbon dimers on the diamond (100)-2 x 1 surface. Surface Science, 641, 159-165. doi:10.1016/j.susc.2015.06.018
NLM
Batista AP de L, Ornellas FR. CASSCF and MRMP2 investigation of the interaction of arsenic adatoms with carbon dimers on the diamond (100)-2 x 1 surface [Internet]. Surface Science. 2015 ; 641 159-165.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1016/j.susc.2015.06.018
Vancouver
Batista AP de L, Ornellas FR. CASSCF and MRMP2 investigation of the interaction of arsenic adatoms with carbon dimers on the diamond (100)-2 x 1 surface [Internet]. Surface Science. 2015 ; 641 159-165.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1016/j.susc.2015.06.018
Artigo de periodico
Energy disposal and thermal rate constants for the OH + HBr and OH + DBr reactions: quasiclassical trajectory calculations on an accurate potential energy surface (2014)
Oliveira Filho, Antonio Gustavo Sampaio de; Ornellas, Fernando Rei ; Bowman, Joel M
Source: Journal of Physical Chemistry A. Unidade: IQ
Subjects: TERMODINÂMICA QUÍMICA, FÍSICO-QUÍMICA
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ABNT
OLIVEIRA FILHO, Antonio Gustavo Sampaio de e ORNELLAS, Fernando Rei e BOWMAN, Joel M. Energy disposal and thermal rate constants for the OH + HBr and OH + DBr reactions: quasiclassical trajectory calculations on an accurate potential energy surface. Journal of Physical Chemistry A, v. 118, n. 51, p. 12080-12088, 2014Tradução . . Disponível em: https://doi.org/10.1021/jp509430p. Acesso em: 14 nov. 2024.
APA
Oliveira Filho, A. G. S. de, Ornellas, F. R., & Bowman, J. M. (2014). Energy disposal and thermal rate constants for the OH + HBr and OH + DBr reactions: quasiclassical trajectory calculations on an accurate potential energy surface. Journal of Physical Chemistry A, 118( 51), 12080-12088. doi:10.1021/jp509430p
NLM
Oliveira Filho AGS de, Ornellas FR, Bowman JM. Energy disposal and thermal rate constants for the OH + HBr and OH + DBr reactions: quasiclassical trajectory calculations on an accurate potential energy surface [Internet]. Journal of Physical Chemistry A. 2014 ; 118( 51): 12080-12088.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1021/jp509430p
Vancouver
Oliveira Filho AGS de, Ornellas FR, Bowman JM. Energy disposal and thermal rate constants for the OH + HBr and OH + DBr reactions: quasiclassical trajectory calculations on an accurate potential energy surface [Internet]. Journal of Physical Chemistry A. 2014 ; 118( 51): 12080-12088.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1021/jp509430p
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: 14 nov. 2024.
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 2024 nov. 14 ] 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 2024 nov. 14 ] Available from: https://doi.org/10.1016/j.cplett.2013.11.011
Artigo de periodico
Quasiclassical trajectory calculations of the rate constant of the OH + HBr 'SETA' Br + 'H IND. 2'O reaction using a full-dimensional Ab initio potential energy surface over the temperature range 5 to 500 K (2014)
Oliveira Filho, Antonio Gustavo Sampaio de; Ornellas, Fernando Rei ; Bowman, Joel M
Source: Journal of Physical Chemistry Letters. Unidade: IQ
Assunto: FÍSICO-QUÍMICA
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ABNT
OLIVEIRA FILHO, Antonio Gustavo Sampaio de e ORNELLAS, Fernando Rei e BOWMAN, Joel M. Quasiclassical trajectory calculations of the rate constant of the OH + HBr 'SETA' Br + 'H IND. 2'O reaction using a full-dimensional Ab initio potential energy surface over the temperature range 5 to 500 K. Journal of Physical Chemistry Letters, v. 5, p. 706-712, 2014Tradução . . Disponível em: https://doi.org/10.1021/jz5000325. Acesso em: 14 nov. 2024.
APA
Oliveira Filho, A. G. S. de, Ornellas, F. R., & Bowman, J. M. (2014). Quasiclassical trajectory calculations of the rate constant of the OH + HBr 'SETA' Br + 'H IND. 2'O reaction using a full-dimensional Ab initio potential energy surface over the temperature range 5 to 500 K. Journal of Physical Chemistry Letters, 5, 706-712. doi:10.1021/jz5000325
NLM
Oliveira Filho AGS de, Ornellas FR, Bowman JM. Quasiclassical trajectory calculations of the rate constant of the OH + HBr 'SETA' Br + 'H IND. 2'O reaction using a full-dimensional Ab initio potential energy surface over the temperature range 5 to 500 K [Internet]. Journal of Physical Chemistry Letters. 2014 ; 5 706-712.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1021/jz5000325
Vancouver
Oliveira Filho AGS de, Ornellas FR, Bowman JM. Quasiclassical trajectory calculations of the rate constant of the OH + HBr 'SETA' Br + 'H IND. 2'O reaction using a full-dimensional Ab initio potential energy surface over the temperature range 5 to 500 K [Internet]. Journal of Physical Chemistry Letters. 2014 ; 5 706-712.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1021/jz5000325
Artigo de periodico
Exploring the electronic states of iodocarbyne: a theoretical contribution (2014)
Alves, Tiago Vinicius; Ornellas, Fernando Rei
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: ESPECTROSCOPIA, FÍSICO-QUÍMICA
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ABNT
ALVES, Tiago Vinicius e ORNELLAS, Fernando Rei. Exploring the electronic states of iodocarbyne: a theoretical contribution. Physical Chemistry Chemical Physics, v. 16, n. 20, p. 9530-9537, 2014Tradução . . Disponível em: https://doi.org/10.1039/c4cp00375f. Acesso em: 14 nov. 2024.
APA
Alves, T. V., & Ornellas, F. R. (2014). Exploring the electronic states of iodocarbyne: a theoretical contribution. Physical Chemistry Chemical Physics, 16( 20), 9530-9537. doi:10.1039/c4cp00375f
NLM
Alves TV, Ornellas FR. Exploring the electronic states of iodocarbyne: a theoretical contribution [Internet]. Physical Chemistry Chemical Physics. 2014 ; 16( 20): 9530-9537.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1039/c4cp00375f
Vancouver
Alves TV, Ornellas FR. Exploring the electronic states of iodocarbyne: a theoretical contribution [Internet]. Physical Chemistry Chemical Physics. 2014 ; 16( 20): 9530-9537.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1039/c4cp00375f
Artigo de periodico
Perimetric coordinate system in potential energy surfaces, spline interpolations, and the study of triatomic reaction dynamics (2014)
Aoto, Yuri Alexando; Ornellas, Fernando Rei
Source: Theoretical Chemistry Accounts. Unidade: IQ
Subjects: FÍSICO-QUÍMICA, ESPECTROSCOPIA
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ABNT
AOTO, Yuri Alexando e ORNELLAS, Fernando Rei. Perimetric coordinate system in potential energy surfaces, spline interpolations, and the study of triatomic reaction dynamics. Theoretical Chemistry Accounts, v. 133, p. 1-16, 2014Tradução . . Disponível em: https://doi.org/10.1007/s00214-014-1547-9. Acesso em: 14 nov. 2024.
APA
Aoto, Y. A., & Ornellas, F. R. (2014). Perimetric coordinate system in potential energy surfaces, spline interpolations, and the study of triatomic reaction dynamics. Theoretical Chemistry Accounts, 133, 1-16. doi:10.1007/s00214-014-1547-9
NLM
Aoto YA, Ornellas FR. Perimetric coordinate system in potential energy surfaces, spline interpolations, and the study of triatomic reaction dynamics [Internet]. Theoretical Chemistry Accounts. 2014 ; 133 1-16.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1007/s00214-014-1547-9
Vancouver
Aoto YA, Ornellas FR. Perimetric coordinate system in potential energy surfaces, spline interpolations, and the study of triatomic reaction dynamics [Internet]. Theoretical Chemistry Accounts. 2014 ; 133 1-16.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1007/s00214-014-1547-9
Artigo de periodico
Exploring new species on the [H, S, Se, Cl] potential energy surface (2013)
Hermoso, Willian; Jaufeerally, Naziah B; Ramasami, Ponnadurai; Ornellas, Fernando Rei
Source: International Journal of Quantum Chemistry. Unidade: IQ
Subjects: CALCOGÊNIOS, FÍSICO-QUÍMICA
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ABNT
HERMOSO, Willian et al. Exploring new species on the [H, S, Se, Cl] potential energy surface. International Journal of Quantum Chemistry, v. 113, n. 2, p. 112-118, 2013Tradução . . Disponível em: https://doi.org/10.1002/qua.24191. Acesso em: 14 nov. 2024.
APA
Hermoso, W., Jaufeerally, N. B., Ramasami, P., & Ornellas, F. R. (2013). Exploring new species on the [H, S, Se, Cl] potential energy surface. International Journal of Quantum Chemistry, 113( 2), 112-118. doi:10.1002/qua.24191
NLM
Hermoso W, Jaufeerally NB, Ramasami P, Ornellas FR. Exploring new species on the [H, S, Se, Cl] potential energy surface [Internet]. International Journal of Quantum Chemistry. 2013 ; 113( 2): 112-118.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1002/qua.24191
Vancouver
Hermoso W, Jaufeerally NB, Ramasami P, Ornellas FR. Exploring new species on the [H, S, Se, Cl] potential energy surface [Internet]. International Journal of Quantum Chemistry. 2013 ; 113( 2): 112-118.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1002/qua.24191
Artigo de periodico
The surprising metastability of Te'H POT. 2+' (2013)
Oliveira Filho, Antonio Gustavo Sampaio de; Ornellas, Fernando Rei
Source: Journal of Chemical Physics. Unidade: IQ
Subjects: CALCOGÊNIOS, FÍSICO-QUÍMICA
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ABNT
OLIVEIRA FILHO, Antonio Gustavo Sampaio de e ORNELLAS, Fernando Rei. The surprising metastability of Te'H POT. 2+'. Journal of Chemical Physics, v. 138, n. 22, p. 1-7 art. 224309, 2013Tradução . . Disponível em: https://doi.org/10.1063/1.4809566. Acesso em: 14 nov. 2024.
APA
Oliveira Filho, A. G. S. de, & Ornellas, F. R. (2013). The surprising metastability of Te'H POT. 2+'. Journal of Chemical Physics, 138( 22), 1-7 art. 224309. doi:10.1063/1.4809566
NLM
Oliveira Filho AGS de, Ornellas FR. The surprising metastability of Te'H POT. 2+' [Internet]. Journal of Chemical Physics. 2013 ; 138( 22): 1-7 art. 224309.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1063/1.4809566
Vancouver
Oliveira Filho AGS de, Ornellas FR. The surprising metastability of Te'H POT. 2+' [Internet]. Journal of Chemical Physics. 2013 ; 138( 22): 1-7 art. 224309.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1063/1.4809566
Artigo de periodico
Thermal rate constants for the O('ANTPOT. 3 P') + 'H''BR' and O('ANTPOT. 3 P') + 'D''BR' reactions: transition-state theory and quantum mechanical calculations (2013)
Oliveira Filho, Antonio Gustavo Sampaio de; Ornellas, Fernando Rei ; Peterson, Kirk A; Mielke, Steven L
Source: Journal of Physical Chemistry A. Unidade: IQ
Assunto: FÍSICO-QUÍMICA
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ABNT
OLIVEIRA FILHO, Antonio Gustavo Sampaio de et al. Thermal rate constants for the O('ANTPOT. 3 P') + 'H''BR' and O('ANTPOT. 3 P') + 'D''BR' reactions: transition-state theory and quantum mechanical calculations. Journal of Physical Chemistry A, v. 117, n. 48, p. 12703-12710, 2013Tradução . . Disponível em: https://doi.org/10.1021/jp4090684. Acesso em: 14 nov. 2024.
APA
Oliveira Filho, A. G. S. de, Ornellas, F. R., Peterson, K. A., & Mielke, S. L. (2013). Thermal rate constants for the O('ANTPOT. 3 P') + 'H''BR' and O('ANTPOT. 3 P') + 'D''BR' reactions: transition-state theory and quantum mechanical calculations. Journal of Physical Chemistry A, 117( 48), 12703-12710. doi:10.1021/jp4090684
NLM
Oliveira Filho AGS de, Ornellas FR, Peterson KA, Mielke SL. Thermal rate constants for the O('ANTPOT. 3 P') + 'H''BR' and O('ANTPOT. 3 P') + 'D''BR' reactions: transition-state theory and quantum mechanical calculations [Internet]. Journal of Physical Chemistry A. 2013 ; 117( 48): 12703-12710.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1021/jp4090684
Vancouver
Oliveira Filho AGS de, Ornellas FR, Peterson KA, Mielke SL. Thermal rate constants for the O('ANTPOT. 3 P') + 'H''BR' and O('ANTPOT. 3 P') + 'D''BR' reactions: transition-state theory and quantum mechanical calculations [Internet]. Journal of Physical Chemistry A. 2013 ; 117( 48): 12703-12710.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1021/jp4090684
Artigo de periodico
Comparative study on the far-field spectra and near-field amplitudes for silver and gold nanocubes irradiated at 514, 633 and 785 nm as a function of the edge length (2012)
Hermoso, Willian; Alves, T V; Ornellas, Fernando Rei ; Camargo, Pedro Henrique Cury de
Source: European Physical Journal D. Unidade: IQ
Subjects: PRATA, FÍSICO-QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
HERMOSO, Willian et al. Comparative study on the far-field spectra and near-field amplitudes for silver and gold nanocubes irradiated at 514, 633 and 785 nm as a function of the edge length. European Physical Journal D, v. 66, n. 5, p. 1-11, 2012Tradução . . Disponível em: https://doi.org/10.1140/epjd/e2012-30144-y. Acesso em: 14 nov. 2024.
APA
Hermoso, W., Alves, T. V., Ornellas, F. R., & Camargo, P. H. C. de. (2012). Comparative study on the far-field spectra and near-field amplitudes for silver and gold nanocubes irradiated at 514, 633 and 785 nm as a function of the edge length. European Physical Journal D, 66( 5), 1-11. doi:10.1140/epjd/e2012-30144-y
NLM
Hermoso W, Alves TV, Ornellas FR, Camargo PHC de. Comparative study on the far-field spectra and near-field amplitudes for silver and gold nanocubes irradiated at 514, 633 and 785 nm as a function of the edge length [Internet]. European Physical Journal D. 2012 ; 66( 5): 1-11.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1140/epjd/e2012-30144-y
Vancouver
Hermoso W, Alves TV, Ornellas FR, Camargo PHC de. Comparative study on the far-field spectra and near-field amplitudes for silver and gold nanocubes irradiated at 514, 633 and 785 nm as a function of the edge length [Internet]. European Physical Journal D. 2012 ; 66( 5): 1-11.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1140/epjd/e2012-30144-y
Artigo de periodico
A theoretical contribution characterizing a potentially new molecular species: MgAs (2012)
Batista, Ana Paula de Lima; Ornellas, Fernando Rei
Source: Chemical Physics Letters. Unidade: IQ
Assunto: FÍSICO-QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
BATISTA, Ana Paula de Lima e ORNELLAS, Fernando Rei. A theoretical contribution characterizing a potentially new molecular species: MgAs. Chemical Physics Letters, v. 523, p. 43-48, 2012Tradução . . Disponível em: https://doi.org/10.1016/j.cplett.2011.12.021. Acesso em: 14 nov. 2024.
APA
Batista, A. P. de L., & Ornellas, F. R. (2012). A theoretical contribution characterizing a potentially new molecular species: MgAs. Chemical Physics Letters, 523, 43-48. doi:10.1016/j.cplett.2011.12.021
NLM
Batista AP de L, Ornellas FR. A theoretical contribution characterizing a potentially new molecular species: MgAs [Internet]. Chemical Physics Letters. 2012 ; 523 43-48.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1016/j.cplett.2011.12.021
Vancouver
Batista AP de L, Ornellas FR. A theoretical contribution characterizing a potentially new molecular species: MgAs [Internet]. Chemical Physics Letters. 2012 ; 523 43-48.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1016/j.cplett.2011.12.021
Artigo de periodico
Calcium-containing diatomic dications in the gas phase (2011)
Alves, Tiago Vinicius; Hermoso, Willian; Franzreb, Klaus; Ornellas, Fernando Rei
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: CÁLCIO, FÍSICO-QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
ALVES, Tiago Vinicius et al. Calcium-containing diatomic dications in the gas phase. Physical Chemistry Chemical Physics, v. 13, n. 41, p. 18297-18306, 2011Tradução . . Disponível em: https://doi.org/10.1039/c1cp20735k. Acesso em: 14 nov. 2024.
APA
Alves, T. V., Hermoso, W., Franzreb, K., & Ornellas, F. R. (2011). Calcium-containing diatomic dications in the gas phase. Physical Chemistry Chemical Physics, 13( 41), 18297-18306. doi:10.1039/c1cp20735k
NLM
Alves TV, Hermoso W, Franzreb K, Ornellas FR. Calcium-containing diatomic dications in the gas phase [Internet]. Physical Chemistry Chemical Physics. 2011 ; 13( 41): 18297-18306.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1039/c1cp20735k
Vancouver
Alves TV, Hermoso W, Franzreb K, Ornellas FR. Calcium-containing diatomic dications in the gas phase [Internet]. Physical Chemistry Chemical Physics. 2011 ; 13( 41): 18297-18306.[citado 2024 nov. 14 ] Available from: https://doi.org/10.1039/c1cp20735k
Trabalho de evento-resumo
A theoretical study of the low-lying electronic states of the molecule SeCI (2011)
Hermoso, Willian; Ornellas, Fernando Rei
Source: Abstracts. Conference titles: Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC). Unidade: IQ
Subjects: ESTRUTURA ELETRÔNICA, FÍSICO-QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
HERMOSO, Willian e ORNELLAS, Fernando Rei. A theoretical study of the low-lying electronic states of the molecule SeCI. 2011, Anais.. Santiago de Compostela: Instituto de Química, Universidade de São Paulo, 2011. . Acesso em: 14 nov. 2024.
APA
Hermoso, W., & Ornellas, F. R. (2011). A theoretical study of the low-lying electronic states of the molecule SeCI. In Abstracts. Santiago de Compostela: Instituto de Química, Universidade de São Paulo.
NLM
Hermoso W, Ornellas FR. A theoretical study of the low-lying electronic states of the molecule SeCI. Abstracts. 2011 ;[citado 2024 nov. 14 ]
Vancouver
Hermoso W, Ornellas FR. A theoretical study of the low-lying electronic states of the molecule SeCI. Abstracts. 2011 ;[citado 2024 nov. 14 ]

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