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Artigo de periodico
Probing the geometry reorganization from solution to gas-phase in putrescine derivatives by IRMPD, 'ANTPOT. 1H-NMR' and theoretical calculations (2017)
Correra, Thiago Carita ; Fernandes, André Santos; Reginato, Marcelo Mota; Ducati, Lucas Colucci ; Berden, Giel; Oomens, Jos
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: ESPECTROSCOPIA, SOLVATAÇÃO
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ABNT
CORRERA, Thiago Carita et al. Probing the geometry reorganization from solution to gas-phase in putrescine derivatives by IRMPD, 'ANTPOT. 1H-NMR' and theoretical calculations. Physical Chemistry Chemical Physics, v. 19, n. 35, p. 24330-24340, 2017Tradução . . Disponível em: https://doi.org/10.1039/c7cp04617k. Acesso em: 24 abr. 2024.
APA
Correra, T. C., Fernandes, A. S., Reginato, M. M., Ducati, L. C., Berden, G., & Oomens, J. (2017). Probing the geometry reorganization from solution to gas-phase in putrescine derivatives by IRMPD, 'ANTPOT. 1H-NMR' and theoretical calculations. Physical Chemistry Chemical Physics, 19( 35), 24330-24340. doi:10.1039/c7cp04617k
NLM
Correra TC, Fernandes AS, Reginato MM, Ducati LC, Berden G, Oomens J. Probing the geometry reorganization from solution to gas-phase in putrescine derivatives by IRMPD, 'ANTPOT. 1H-NMR' and theoretical calculations [Internet]. Physical Chemistry Chemical Physics. 2017 ; 19( 35): 24330-24340.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1039/c7cp04617k
Vancouver
Correra TC, Fernandes AS, Reginato MM, Ducati LC, Berden G, Oomens J. Probing the geometry reorganization from solution to gas-phase in putrescine derivatives by IRMPD, 'ANTPOT. 1H-NMR' and theoretical calculations [Internet]. Physical Chemistry Chemical Physics. 2017 ; 19( 35): 24330-24340.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1039/c7cp04617k
Trabalho de evento-resumo
Molecular orbital analysis of the halogen dependence of nuclear magnetic shielding in 'PX IND. 3' and 'POX IND. 3' (X = F, Cl, Br, I) (2017)
Reginato, Marcelo Mota; Ducati, Lucas Colucci
Source: Resumos. Conference titles: Simpósio Brasileiro de Química Teórica/SBQT. Unidade: IQ
Assunto: RESSONÂNCIA MAGNÉTICA NUCLEAR
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REGINATO, Marcelo Mota e DUCATI, Lucas Colucci. Molecular orbital analysis of the halogen dependence of nuclear magnetic shielding in 'PX IND. 3' and 'POX IND. 3' (X = F, Cl, Br, I). 2017, Anais.. São Paulo: IF/USP, 2017. . Acesso em: 24 abr. 2024.
APA
Reginato, M. M., & Ducati, L. C. (2017). Molecular orbital analysis of the halogen dependence of nuclear magnetic shielding in 'PX IND. 3' and 'POX IND. 3' (X = F, Cl, Br, I). In Resumos. São Paulo: IF/USP.
NLM
Reginato MM, Ducati LC. Molecular orbital analysis of the halogen dependence of nuclear magnetic shielding in 'PX IND. 3' and 'POX IND. 3' (X = F, Cl, Br, I). Resumos. 2017 ;[citado 2024 abr. 24 ]
Vancouver
Reginato MM, Ducati LC. Molecular orbital analysis of the halogen dependence of nuclear magnetic shielding in 'PX IND. 3' and 'POX IND. 3' (X = F, Cl, Br, I). Resumos. 2017 ;[citado 2024 abr. 24 ]
Artigo de periodico
The unexpected roles of sigma and pi orbitals in electron donor and acceptor group effects on the C-13 NMR chemical shifts in substituted benzenest (2017)
Viesser, Renan V; Ducati, Lucas Colucci ; Tormena, Cláudio F; Autschbach, Jochen
Source: Chemical Science. Unidade: IQ
Subjects: RESSONÂNCIA MAGNÉTICA NUCLEAR, ORBITAL MOLECULAR
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ABNT
VIESSER, Renan V et al. The unexpected roles of sigma and pi orbitals in electron donor and acceptor group effects on the C-13 NMR chemical shifts in substituted benzenest. Chemical Science, v. 8, n. 9, p. 6570-6576, 2017Tradução . . Disponível em: https://doi.org/10.1039/c7sc02163a. Acesso em: 24 abr. 2024.
APA
Viesser, R. V., Ducati, L. C., Tormena, C. F., & Autschbach, J. (2017). The unexpected roles of sigma and pi orbitals in electron donor and acceptor group effects on the C-13 NMR chemical shifts in substituted benzenest. Chemical Science, 8( 9), 6570-6576. doi:10.1039/c7sc02163a
NLM
Viesser RV, Ducati LC, Tormena CF, Autschbach J. The unexpected roles of sigma and pi orbitals in electron donor and acceptor group effects on the C-13 NMR chemical shifts in substituted benzenest [Internet]. Chemical Science. 2017 ; 8( 9): 6570-6576.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1039/c7sc02163a
Vancouver
Viesser RV, Ducati LC, Tormena CF, Autschbach J. The unexpected roles of sigma and pi orbitals in electron donor and acceptor group effects on the C-13 NMR chemical shifts in substituted benzenest [Internet]. Chemical Science. 2017 ; 8( 9): 6570-6576.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1039/c7sc02163a
Trabalho de evento-resumo
NMR J-coupling constants of Tl−Pt bonded metal complexes in aqueous solution: ab initio molecular dynamics and localized orbital analysis (2017)
Ducati, Lucas Colucci ; Marchenko, Alex; Autshcbach, Jochen
Source: Resumos. Conference titles: Simpósio Brasileiro de Química Teórica/SBQT. Unidade: IQ
Subjects: RESSONÂNCIA MAGNÉTICA NUCLEAR, SOLUÇÕES AQUOSAS
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ABNT
DUCATI, Lucas Colucci e MARCHENKO, Alex e AUTSHCBACH, Jochen. NMR J-coupling constants of Tl−Pt bonded metal complexes in aqueous solution: ab initio molecular dynamics and localized orbital analysis. 2017, Anais.. São Paulo: IF/USP, 2017. . Acesso em: 24 abr. 2024.
APA
Ducati, L. C., Marchenko, A., & Autshcbach, J. (2017). NMR J-coupling constants of Tl−Pt bonded metal complexes in aqueous solution: ab initio molecular dynamics and localized orbital analysis. In Resumos. São Paulo: IF/USP.
NLM
Ducati LC, Marchenko A, Autshcbach J. NMR J-coupling constants of Tl−Pt bonded metal complexes in aqueous solution: ab initio molecular dynamics and localized orbital analysis. Resumos. 2017 ;[citado 2024 abr. 24 ]
Vancouver
Ducati LC, Marchenko A, Autshcbach J. NMR J-coupling constants of Tl−Pt bonded metal complexes in aqueous solution: ab initio molecular dynamics and localized orbital analysis. Resumos. 2017 ;[citado 2024 abr. 24 ]
Trabalho de evento-resumo
Density functional calibration for indirect spin-spin coupling constant calculations (2017)
Teixeira, Luiz Felipe; Ducati, Lucas Colucci
Source: Resumos. Conference titles: Simpósio Brasileiro de Química Teórica/SBQT. Unidade: IQ
Subjects: RESSONÂNCIA MAGNÉTICA NUCLEAR, SPIN
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ABNT
TEIXEIRA, Luiz Felipe e DUCATI, Lucas Colucci. Density functional calibration for indirect spin-spin coupling constant calculations. 2017, Anais.. São Paulo: IF/USP, 2017. . Acesso em: 24 abr. 2024.
APA
Teixeira, L. F., & Ducati, L. C. (2017). Density functional calibration for indirect spin-spin coupling constant calculations. In Resumos. São Paulo: IF/USP.
NLM
Teixeira LF, Ducati LC. Density functional calibration for indirect spin-spin coupling constant calculations. Resumos. 2017 ;[citado 2024 abr. 24 ]
Vancouver
Teixeira LF, Ducati LC. Density functional calibration for indirect spin-spin coupling constant calculations. Resumos. 2017 ;[citado 2024 abr. 24 ]
Artigo de periodico
NMR spin-spin coupling constants: bond angle dependence of the sign and magnitude of the vicinal (3)J(HF) coupling (2016)
Viesser, Renan V; Ducati, Lucas Colucci ; Autschbach, Jochen; Tormena, Cláudio Francisco
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: RESSONÂNCIA MAGNÉTICA NUCLEAR, CONSTANTES QUÍMICAS
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ABNT
VIESSER, Renan V et al. NMR spin-spin coupling constants: bond angle dependence of the sign and magnitude of the vicinal (3)J(HF) coupling. Physical Chemistry Chemical Physics, v. 18, n. 34, p. 24119-24128, 2016Tradução . . Disponível em: https://doi.org/10.1039/c6cp04853f. Acesso em: 24 abr. 2024.
APA
Viesser, R. V., Ducati, L. C., Autschbach, J., & Tormena, C. F. (2016). NMR spin-spin coupling constants: bond angle dependence of the sign and magnitude of the vicinal (3)J(HF) coupling. Physical Chemistry Chemical Physics, 18( 34), 24119-24128. doi:10.1039/c6cp04853f
NLM
Viesser RV, Ducati LC, Autschbach J, Tormena CF. NMR spin-spin coupling constants: bond angle dependence of the sign and magnitude of the vicinal (3)J(HF) coupling [Internet]. Physical Chemistry Chemical Physics. 2016 ; 18( 34): 24119-24128.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1039/c6cp04853f
Vancouver
Viesser RV, Ducati LC, Autschbach J, Tormena CF. NMR spin-spin coupling constants: bond angle dependence of the sign and magnitude of the vicinal (3)J(HF) coupling [Internet]. Physical Chemistry Chemical Physics. 2016 ; 18( 34): 24119-24128.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1039/c6cp04853f
Trabalho de evento-anais periodico
Computational insight to ['Et IND.2''N''H IND. 2']['H''S''O IND. 4'] ionic liquid catalyzed multisubstituted imidazole synthesis (2016)
Abbasov, Vaqif M; Abdullayev, Yusif A; Ducati, Lucas Colucci ; Talybov, Avtandil H; Autschbach, Jochen
Source: Processes of Petrochemistry and Oil Refining (PPOR). Conference titles: Internacional Mammadaliyev’s Conference. Unidade: IQ
Subjects: LÍQUIDOS IÔNICOS, CATÁLISE
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ABNT
ABBASOV, Vaqif M et al. Computational insight to ['Et IND.2''N''H IND. 2']['H''S''O IND. 4'] ionic liquid catalyzed multisubstituted imidazole synthesis. Processes of Petrochemistry and Oil Refining (PPOR). Baku: Instituto de Química, Universidade de São Paulo. Disponível em: http://jppor-az.com/jpdf/V.M.Abbasov-Yu.A.Abdullayev-3(2016).PDF. Acesso em: 24 abr. 2024. , 2016
APA
Abbasov, V. M., Abdullayev, Y. A., Ducati, L. C., Talybov, A. H., & Autschbach, J. (2016). Computational insight to ['Et IND.2''N''H IND. 2']['H''S''O IND. 4'] ionic liquid catalyzed multisubstituted imidazole synthesis. Processes of Petrochemistry and Oil Refining (PPOR). Baku: Instituto de Química, Universidade de São Paulo. Recuperado de http://jppor-az.com/jpdf/V.M.Abbasov-Yu.A.Abdullayev-3(2016).PDF
NLM
Abbasov VM, Abdullayev YA, Ducati LC, Talybov AH, Autschbach J. Computational insight to ['Et IND.2''N''H IND. 2']['H''S''O IND. 4'] ionic liquid catalyzed multisubstituted imidazole synthesis [Internet]. Processes of Petrochemistry and Oil Refining (PPOR). 2016 ; 17( 3): 169-181.[citado 2024 abr. 24 ] Available from: http://jppor-az.com/jpdf/V.M.Abbasov-Yu.A.Abdullayev-3(2016).PDF
Vancouver
Abbasov VM, Abdullayev YA, Ducati LC, Talybov AH, Autschbach J. Computational insight to ['Et IND.2''N''H IND. 2']['H''S''O IND. 4'] ionic liquid catalyzed multisubstituted imidazole synthesis [Internet]. Processes of Petrochemistry and Oil Refining (PPOR). 2016 ; 17( 3): 169-181.[citado 2024 abr. 24 ] Available from: http://jppor-az.com/jpdf/V.M.Abbasov-Yu.A.Abdullayev-3(2016).PDF
Artigo de periodico
Ionic liquid solvation versus catalysis: computational insight from a multisubstituted imidazole Synthesis in[`Et IND. 2´`NH IND. 2´][`HSO IND. 4´] (2016)
Abdullayev, Yusif; Abbasov, Vagif; Ducati, Lucas Colucci ; Talybov, Avtandil; Autschbach, Jochen
Source: ChemistryOpen. Unidade: IQ
Subjects: LÍQUIDOS IÔNICOS, SOLVATAÇÃO, CATÁLISE
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ABNT
ABDULLAYEV, Yusif et al. Ionic liquid solvation versus catalysis: computational insight from a multisubstituted imidazole Synthesis in[`Et IND. 2´`NH IND. 2´][`HSO IND. 4´]. ChemistryOpen, p. 1-10, 2016Tradução . . Disponível em: https://doi.org/10.1002/open.201600066. Acesso em: 24 abr. 2024.
APA
Abdullayev, Y., Abbasov, V., Ducati, L. C., Talybov, A., & Autschbach, J. (2016). Ionic liquid solvation versus catalysis: computational insight from a multisubstituted imidazole Synthesis in[`Et IND. 2´`NH IND. 2´][`HSO IND. 4´]. ChemistryOpen, 1-10. doi:10.1002/open.201600066
NLM
Abdullayev Y, Abbasov V, Ducati LC, Talybov A, Autschbach J. Ionic liquid solvation versus catalysis: computational insight from a multisubstituted imidazole Synthesis in[`Et IND. 2´`NH IND. 2´][`HSO IND. 4´] [Internet]. ChemistryOpen. 2016 ; 1-10.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1002/open.201600066
Vancouver
Abdullayev Y, Abbasov V, Ducati LC, Talybov A, Autschbach J. Ionic liquid solvation versus catalysis: computational insight from a multisubstituted imidazole Synthesis in[`Et IND. 2´`NH IND. 2´][`HSO IND. 4´] [Internet]. ChemistryOpen. 2016 ; 1-10.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1002/open.201600066
Artigo de periodico
On the intermolecular interaction of N-benzylquininium chloride or quinine with some carbonyl group containing compounds (2016)
Avila, Thais C; Reginato, Marcelo M; Di Vitta, Cláudio ; Ducati, Lucas Colucci ; Andrade, Leandro Helgueira ; Marzorati, Liliana
Source: Tetrahedrom Letters. Unidade: IQ
Subjects: QUÍMICA ORGÂNICA, COMPOSTOS ORGÂNICOS
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ABNT
AVILA, Thais C et al. On the intermolecular interaction of N-benzylquininium chloride or quinine with some carbonyl group containing compounds. Tetrahedrom Letters, v. 57, p. 2152-2157, 2016Tradução . . Disponível em: https://doi.org/10.1016/j.tetlet.2016.03.109. Acesso em: 24 abr. 2024.
APA
Avila, T. C., Reginato, M. M., Di Vitta, C., Ducati, L. C., Andrade, L. H., & Marzorati, L. (2016). On the intermolecular interaction of N-benzylquininium chloride or quinine with some carbonyl group containing compounds. Tetrahedrom Letters, 57, 2152-2157. doi:10.1016/j.tetlet.2016.03.109
NLM
Avila TC, Reginato MM, Di Vitta C, Ducati LC, Andrade LH, Marzorati L. On the intermolecular interaction of N-benzylquininium chloride or quinine with some carbonyl group containing compounds [Internet]. Tetrahedrom Letters. 2016 ; 57 2152-2157.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1016/j.tetlet.2016.03.109
Vancouver
Avila TC, Reginato MM, Di Vitta C, Ducati LC, Andrade LH, Marzorati L. On the intermolecular interaction of N-benzylquininium chloride or quinine with some carbonyl group containing compounds [Internet]. Tetrahedrom Letters. 2016 ; 57 2152-2157.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1016/j.tetlet.2016.03.109
Trabalho de evento-resumo
Estudo mecanístico da formação de β-aminoálcoois utilizando sais de piridínio (2016)
Teixeira, Luiz Felipe Guain; Ducati, Lucas Colucci
Source: Resumos. Conference titles: Simpósio Internacional de Iniciação Científica e Tecnológica da USP (SIICUSP). Unidade: IQ
Subjects: SAIS, SOLVATAÇÃO
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ABNT
TEIXEIRA, Luiz Felipe Guain e DUCATI, Lucas Colucci. Estudo mecanístico da formação de β-aminoálcoois utilizando sais de piridínio. 2016, Anais.. São Paulo: USP/Pró-Reitoria de Pesquisa, 2016. Disponível em: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210. Acesso em: 24 abr. 2024.
APA
Teixeira, L. F. G., & Ducati, L. C. (2016). Estudo mecanístico da formação de β-aminoálcoois utilizando sais de piridínio. In Resumos. São Paulo: USP/Pró-Reitoria de Pesquisa. Recuperado de https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210
NLM
Teixeira LFG, Ducati LC. Estudo mecanístico da formação de β-aminoálcoois utilizando sais de piridínio [Internet]. Resumos. 2016 ;[citado 2024 abr. 24 ] Available from: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210
Vancouver
Teixeira LFG, Ducati LC. Estudo mecanístico da formação de β-aminoálcoois utilizando sais de piridínio [Internet]. Resumos. 2016 ;[citado 2024 abr. 24 ] Available from: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210
Artigo de periodico
NMR J-Coupling constants of Tl–Pt bonded metal complexes in aqueous solution: ab Initio molecular dynamics and localized orbital analysis (2016)
Ducati, Lucas Colucci ; Marchenko, Alex; Autschbach, Jochen
Source: Inorganic Chemistry. Unidade: IQ
Subjects: PROPRIEDADES DOS MATERIAIS, SOLVENTE
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ABNT
DUCATI, Lucas Colucci e MARCHENKO, Alex e AUTSCHBACH, Jochen. NMR J-Coupling constants of Tl–Pt bonded metal complexes in aqueous solution: ab Initio molecular dynamics and localized orbital analysis. Inorganic Chemistry, v. 55, p. 1211-1223, 2016Tradução . . Disponível em: https://doi.org/10.1021/acs.inorgchem.6b02180. Acesso em: 24 abr. 2024.
APA
Ducati, L. C., Marchenko, A., & Autschbach, J. (2016). NMR J-Coupling constants of Tl–Pt bonded metal complexes in aqueous solution: ab Initio molecular dynamics and localized orbital analysis. Inorganic Chemistry, 55, 1211-1223. doi:10.1021/acs.inorgchem.6b02180
NLM
Ducati LC, Marchenko A, Autschbach J. NMR J-Coupling constants of Tl–Pt bonded metal complexes in aqueous solution: ab Initio molecular dynamics and localized orbital analysis [Internet]. Inorganic Chemistry. 2016 ; 55 1211-1223.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1021/acs.inorgchem.6b02180
Vancouver
Ducati LC, Marchenko A, Autschbach J. NMR J-Coupling constants of Tl–Pt bonded metal complexes in aqueous solution: ab Initio molecular dynamics and localized orbital analysis [Internet]. Inorganic Chemistry. 2016 ; 55 1211-1223.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1021/acs.inorgchem.6b02180
Artigo de periodico
Formation of isomers of anionic hemiesters of sugars and carbonic acid in aqueous medium (2016)
Santos, Vagner Barros dos; Vidal, Denis Tadeu Rajh; Francisco, Kelliton José Mendonça; Ducati, Lucas Colucci ; Lago, Claudimir Lucio do
Source: Carbohydrate Research. Unidade: IQ
Subjects: ISÔMERO, ESPECTROSCOPIA
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ABNT
SANTOS, Vagner Barros dos et al. Formation of isomers of anionic hemiesters of sugars and carbonic acid in aqueous medium. Carbohydrate Research, v. 428, p. 18-22, 2016Tradução . . Disponível em: https://doi.org/10.1016/j.carres.2016.04.007. Acesso em: 24 abr. 2024.
APA
Santos, V. B. dos, Vidal, D. T. R., Francisco, K. J. M., Ducati, L. C., & Lago, C. L. do. (2016). Formation of isomers of anionic hemiesters of sugars and carbonic acid in aqueous medium. Carbohydrate Research, 428, 18-22. doi:10.1016/j.carres.2016.04.007
NLM
Santos VB dos, Vidal DTR, Francisco KJM, Ducati LC, Lago CL do. Formation of isomers of anionic hemiesters of sugars and carbonic acid in aqueous medium [Internet]. Carbohydrate Research. 2016 ; 428 18-22.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1016/j.carres.2016.04.007
Vancouver
Santos VB dos, Vidal DTR, Francisco KJM, Ducati LC, Lago CL do. Formation of isomers of anionic hemiesters of sugars and carbonic acid in aqueous medium [Internet]. Carbohydrate Research. 2016 ; 428 18-22.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1016/j.carres.2016.04.007
Artigo de periodico
Conformational analysis and electronic interactions of some 4 '-substituted-2-ethylthio-phenylacetates (2015)
Rodrigues, Daniel Nopper Silva ; Ducati, Lucas Colucci ; Dal Colle, Maurizio
Source: Journal of Physical Chemistry A. Unidade: IQ
Subjects: ESPECTROSCOPIA, FÍSICO-QUÍMICA
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ABNT
RODRIGUES, Daniel Nopper Silva e DUCATI, Lucas Colucci e DAL COLLE, Maurizio. Conformational analysis and electronic interactions of some 4 '-substituted-2-ethylthio-phenylacetates. Journal of Physical Chemistry A, v. 119, n. 16, p. 3823-3832, 2015Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.5b01531. Acesso em: 24 abr. 2024.
APA
Rodrigues, D. N. S., Ducati, L. C., & Dal Colle, M. (2015). Conformational analysis and electronic interactions of some 4 '-substituted-2-ethylthio-phenylacetates. Journal of Physical Chemistry A, 119( 16), 3823-3832. doi:10.1021/acs.jpca.5b01531
NLM
Rodrigues DNS, Ducati LC, Dal Colle M. Conformational analysis and electronic interactions of some 4 '-substituted-2-ethylthio-phenylacetates [Internet]. Journal of Physical Chemistry A. 2015 ; 119( 16): 3823-3832.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1021/acs.jpca.5b01531
Vancouver
Rodrigues DNS, Ducati LC, Dal Colle M. Conformational analysis and electronic interactions of some 4 '-substituted-2-ethylthio-phenylacetates [Internet]. Journal of Physical Chemistry A. 2015 ; 119( 16): 3823-3832.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1021/acs.jpca.5b01531
Artigo de periodico
Effects of stereoelectronic interactions on the relativistic spin-orbit and paramagnetic components of the C-13 NMR shielding tensors of dihaloethenes (2015)
Viesser, Renan V; Ducati, Lucas Colucci ; Autschbach, Jochen; Tormena, Cláudio Francisco
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: FÍSICO-QUÍMICA, ISÔMERO, ESTEREOQUÍMICA
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ABNT
VIESSER, Renan V et al. Effects of stereoelectronic interactions on the relativistic spin-orbit and paramagnetic components of the C-13 NMR shielding tensors of dihaloethenes. Physical Chemistry Chemical Physics, v. 17, n. 29, p. 19315-19324, 2015Tradução . . Disponível em: https://doi.org/10.1039/c5cp02026c. Acesso em: 24 abr. 2024.
APA
Viesser, R. V., Ducati, L. C., Autschbach, J., & Tormena, C. F. (2015). Effects of stereoelectronic interactions on the relativistic spin-orbit and paramagnetic components of the C-13 NMR shielding tensors of dihaloethenes. Physical Chemistry Chemical Physics, 17( 29), 19315-19324. doi:10.1039/c5cp02026c
NLM
Viesser RV, Ducati LC, Autschbach J, Tormena CF. Effects of stereoelectronic interactions on the relativistic spin-orbit and paramagnetic components of the C-13 NMR shielding tensors of dihaloethenes [Internet]. Physical Chemistry Chemical Physics. 2015 ; 17( 29): 19315-19324.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1039/c5cp02026c
Vancouver
Viesser RV, Ducati LC, Autschbach J, Tormena CF. Effects of stereoelectronic interactions on the relativistic spin-orbit and paramagnetic components of the C-13 NMR shielding tensors of dihaloethenes [Internet]. Physical Chemistry Chemical Physics. 2015 ; 17( 29): 19315-19324.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1039/c5cp02026c
Artigo de periodico
Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach (2015)
Martins, M. A. P; Meyer, A. R; Tier, A. Z; Longhi, K; Ducati, Lucas Colucci ; Bonacorso, Helio G; Zanatta, Nilo; Frizzo, C. P
Source: CrystEngComm. Unidade: IQ
Subjects: CRISTALIZAÇÃO, AMINOÁCIDOS
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ABNT
MARTINS, M. A. P et al. Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach. CrystEngComm, v. 17, n. 38, p. 7381-7391, 2015Tradução . . Disponível em: https://doi.org/10.1039/c5ce01295c. Acesso em: 24 abr. 2024.
APA
Martins, M. A. P., Meyer, A. R., Tier, A. Z., Longhi, K., Ducati, L. C., Bonacorso, H. G., et al. (2015). Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach. CrystEngComm, 17( 38), 7381-7391. doi:10.1039/c5ce01295c
NLM
Martins MAP, Meyer AR, Tier AZ, Longhi K, Ducati LC, Bonacorso HG, Zanatta N, Frizzo CP. Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach [Internet]. CrystEngComm. 2015 ; 17( 38): 7381-7391.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1039/c5ce01295c
Vancouver
Martins MAP, Meyer AR, Tier AZ, Longhi K, Ducati LC, Bonacorso HG, Zanatta N, Frizzo CP. Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach [Internet]. CrystEngComm. 2015 ; 17( 38): 7381-7391.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1039/c5ce01295c
Artigo de periodico
Experimental and theoretical evaluation on the conformational behavior of L-aspartic acid dimethyl ester and its N-acetylated derivative (2015)
Braga, Carolyne B; Ducati, Lucas Colucci ; Rittner, Roberto
Source: RSC Advances. Unidade: IQ
Subjects: AMINOÁCIDOS, ESPECTROSCOPIA INFRAVERMELHA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
BRAGA, Carolyne B e DUCATI, Lucas Colucci e RITTNER, Roberto. Experimental and theoretical evaluation on the conformational behavior of L-aspartic acid dimethyl ester and its N-acetylated derivative. RSC Advances, v. 5, n. 23, p. 18013-18024, 2015Tradução . . Disponível em: https://doi.org/10.1039/c4ra14480e. Acesso em: 24 abr. 2024.
APA
Braga, C. B., Ducati, L. C., & Rittner, R. (2015). Experimental and theoretical evaluation on the conformational behavior of L-aspartic acid dimethyl ester and its N-acetylated derivative. RSC Advances, 5( 23), 18013-18024. doi:10.1039/c4ra14480e
NLM
Braga CB, Ducati LC, Rittner R. Experimental and theoretical evaluation on the conformational behavior of L-aspartic acid dimethyl ester and its N-acetylated derivative [Internet]. RSC Advances. 2015 ; 5( 23): 18013-18024.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1039/c4ra14480e
Vancouver
Braga CB, Ducati LC, Rittner R. Experimental and theoretical evaluation on the conformational behavior of L-aspartic acid dimethyl ester and its N-acetylated derivative [Internet]. RSC Advances. 2015 ; 5( 23): 18013-18024.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1039/c4ra14480e
Trabalho de evento-resumo
Estudo do isomerismo rotacional do captopril (2015)
Teixeira, Luiz Felipe; Ducati, Lucas Colucci
Source: Resumos. Conference titles: Simpósio Internacional de Iniciação Científica e Tecnológica da USP (SIICUSP). Unidade: IQ
Subjects: INIBIDORES DE ENZIMAS, ISÔMERO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
TEIXEIRA, Luiz Felipe e DUCATI, Lucas Colucci. Estudo do isomerismo rotacional do captopril. 2015, Anais.. São Paulo: Pró-Reitoria de Pesquisa/USP, 2015. . Acesso em: 24 abr. 2024.
APA
Teixeira, L. F., & Ducati, L. C. (2015). Estudo do isomerismo rotacional do captopril. In Resumos. São Paulo: Pró-Reitoria de Pesquisa/USP.
NLM
Teixeira LF, Ducati LC. Estudo do isomerismo rotacional do captopril. Resumos. 2015 ;[citado 2024 abr. 24 ]
Vancouver
Teixeira LF, Ducati LC. Estudo do isomerismo rotacional do captopril. Resumos. 2015 ;[citado 2024 abr. 24 ]
Artigo de periodico
A study of the rotational barriers for some organic compounds using the G3 and G3CEP theories (2014)
Pereira, Douglas Henrique; Ducati, Lucas Colucci ; Rittner, Roberto; Custódio, Rogério
Source: Journal of Molecular Modeling. Unidade: IQ
Assunto: COMPOSTOS ORGÂNICOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
PEREIRA, Douglas Henrique et al. A study of the rotational barriers for some organic compounds using the G3 and G3CEP theories. Journal of Molecular Modeling, v. 20, p. 1-14 : + Supplementary materials ( S1-S67), 2014Tradução . . Disponível em: https://doi.org/10.1007/s00894-014-2199-3. Acesso em: 24 abr. 2024.
APA
Pereira, D. H., Ducati, L. C., Rittner, R., & Custódio, R. (2014). A study of the rotational barriers for some organic compounds using the G3 and G3CEP theories. Journal of Molecular Modeling, 20, 1-14 : + Supplementary materials ( S1-S67). doi:10.1007/s00894-014-2199-3
NLM
Pereira DH, Ducati LC, Rittner R, Custódio R. A study of the rotational barriers for some organic compounds using the G3 and G3CEP theories [Internet]. Journal of Molecular Modeling. 2014 ; 20 1-14 : + Supplementary materials ( S1-S67).[citado 2024 abr. 24 ] Available from: https://doi.org/10.1007/s00894-014-2199-3
Vancouver
Pereira DH, Ducati LC, Rittner R, Custódio R. A study of the rotational barriers for some organic compounds using the G3 and G3CEP theories [Internet]. Journal of Molecular Modeling. 2014 ; 20 1-14 : + Supplementary materials ( S1-S67).[citado 2024 abr. 24 ] Available from: https://doi.org/10.1007/s00894-014-2199-3
Artigo de periodico
Conformational analysis and intramolecular interactions of L-proline methyl ester and its N-acetylated derivative through spectroscopic and theoretical studies (2014)
Braga, Carolyne B; Ducati, Lucas Colucci ; Tormena, Cláudio Francisco; Rittner, Roberto
Source: Journal of Physical Chemistry A. Unidade: IQ
Subjects: RESSONÂNCIA MAGNÉTICA NUCLEAR, AMINOÁCIDOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
BRAGA, Carolyne B et al. Conformational analysis and intramolecular interactions of L-proline methyl ester and its N-acetylated derivative through spectroscopic and theoretical studies. Journal of Physical Chemistry A, v. 118, p. 1748-1758, 2014Tradução . . Disponível em: https://doi.org/10.1021/jp5007632. Acesso em: 24 abr. 2024.
APA
Braga, C. B., Ducati, L. C., Tormena, C. F., & Rittner, R. (2014). Conformational analysis and intramolecular interactions of L-proline methyl ester and its N-acetylated derivative through spectroscopic and theoretical studies. Journal of Physical Chemistry A, 118, 1748-1758. doi:10.1021/jp5007632
NLM
Braga CB, Ducati LC, Tormena CF, Rittner R. Conformational analysis and intramolecular interactions of L-proline methyl ester and its N-acetylated derivative through spectroscopic and theoretical studies [Internet]. Journal of Physical Chemistry A. 2014 ; 118 1748-1758.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1021/jp5007632
Vancouver
Braga CB, Ducati LC, Tormena CF, Rittner R. Conformational analysis and intramolecular interactions of L-proline methyl ester and its N-acetylated derivative through spectroscopic and theoretical studies [Internet]. Journal of Physical Chemistry A. 2014 ; 118 1748-1758.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1021/jp5007632
Artigo de periodico
Phenylalanine and tyrosine methyl ester intramolecular interactions and conformational analysis by 'ANTIPOT.1 H' NMR and infrared spectroscopies and theoretical calculations (2014)
Cormanich, Rodrigo A; Ducati, Lucas Colucci ; Tormena, Cláudio F; Rittner, Roberto
Source: Spectrochimica Acta A. Unidade: IQ
Assunto: FÍSICO-QUÍMICA ORGÂNICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
CORMANICH, Rodrigo A et al. Phenylalanine and tyrosine methyl ester intramolecular interactions and conformational analysis by 'ANTIPOT.1 H' NMR and infrared spectroscopies and theoretical calculations. Spectrochimica Acta A, v. 123, p. 482-489, 2014Tradução . . Disponível em: https://doi.org/10.1016/j.saa.2013.12.088. Acesso em: 24 abr. 2024.
APA
Cormanich, R. A., Ducati, L. C., Tormena, C. F., & Rittner, R. (2014). Phenylalanine and tyrosine methyl ester intramolecular interactions and conformational analysis by 'ANTIPOT.1 H' NMR and infrared spectroscopies and theoretical calculations. Spectrochimica Acta A, 123, 482-489. doi:10.1016/j.saa.2013.12.088
NLM
Cormanich RA, Ducati LC, Tormena CF, Rittner R. Phenylalanine and tyrosine methyl ester intramolecular interactions and conformational analysis by 'ANTIPOT.1 H' NMR and infrared spectroscopies and theoretical calculations [Internet]. Spectrochimica Acta A. 2014 ; 123 482-489.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1016/j.saa.2013.12.088
Vancouver
Cormanich RA, Ducati LC, Tormena CF, Rittner R. Phenylalanine and tyrosine methyl ester intramolecular interactions and conformational analysis by 'ANTIPOT.1 H' NMR and infrared spectroscopies and theoretical calculations [Internet]. Spectrochimica Acta A. 2014 ; 123 482-489.[citado 2024 abr. 24 ] Available from: https://doi.org/10.1016/j.saa.2013.12.088

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