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Artigo de periodico
An Unexpected isomerisation of isoquinuclidines (2023)
Moura, Rebeca Garcia ; Batista, Patrick Rodrigues ; Ducati, Lucas Colucci ; Yamaguchi, Lydia Fumiko; Marzorati, Liliana
Source: Journal of Physical Organic Chemistry. Unidade: IQ
Subjects: SOLVENTE, ISÔMERO
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ABNT
MOURA, Rebeca Garcia et al. An Unexpected isomerisation of isoquinuclidines. Journal of Physical Organic Chemistry, v. 36, n. 9, p. 1-8, 2023Tradução . . Disponível em: https://doi.org/10.1002/poc.4518. Acesso em: 17 fev. 2026.
APA
Moura, R. G., Batista, P. R., Ducati, L. C., Yamaguchi, L. F., & Marzorati, L. (2023). An Unexpected isomerisation of isoquinuclidines. Journal of Physical Organic Chemistry, 36( 9), 1-8. doi:10.1002/poc.4518
NLM
Moura RG, Batista PR, Ducati LC, Yamaguchi LF, Marzorati L. An Unexpected isomerisation of isoquinuclidines [Internet]. Journal of Physical Organic Chemistry. 2023 ; 36( 9): 1-8.[citado 2026 fev. 17 ] Available from: https://doi.org/10.1002/poc.4518
Vancouver
Moura RG, Batista PR, Ducati LC, Yamaguchi LF, Marzorati L. An Unexpected isomerisation of isoquinuclidines [Internet]. Journal of Physical Organic Chemistry. 2023 ; 36( 9): 1-8.[citado 2026 fev. 17 ] Available from: https://doi.org/10.1002/poc.4518
Artigo de periodico
Spectroscopic and theoretical studies of some 2-(2′-ethylsulfanyl)acetyl-5-substituted furans and thiophenes (2022)
Rodrigues, Daniel Nopper Silva ; Olivato, Paulo Roberto ; Batista, Patrick Rodrigues ; Ducati, Lucas Colucci ; Colle, Maurizio Dal
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: ESPECTROSCOPIA, INFRAVERMELHO
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ABNT
RODRIGUES, Daniel Nopper Silva et al. Spectroscopic and theoretical studies of some 2-(2′-ethylsulfanyl)acetyl-5-substituted furans and thiophenes. Journal of Molecular Structure, v. 1261, p. 1-21 art. 132895, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2022.132895. Acesso em: 17 fev. 2026.
APA
Rodrigues, D. N. S., Olivato, P. R., Batista, P. R., Ducati, L. C., & Colle, M. D. (2022). Spectroscopic and theoretical studies of some 2-(2′-ethylsulfanyl)acetyl-5-substituted furans and thiophenes. Journal of Molecular Structure, 1261, 1-21 art. 132895. doi:10.1016/j.molstruc.2022.132895
NLM
Rodrigues DNS, Olivato PR, Batista PR, Ducati LC, Colle MD. Spectroscopic and theoretical studies of some 2-(2′-ethylsulfanyl)acetyl-5-substituted furans and thiophenes [Internet]. Journal of Molecular Structure. 2022 ; 1261 1-21 art. 132895.[citado 2026 fev. 17 ] Available from: https://doi.org/10.1016/j.molstruc.2022.132895
Vancouver
Rodrigues DNS, Olivato PR, Batista PR, Ducati LC, Colle MD. Spectroscopic and theoretical studies of some 2-(2′-ethylsulfanyl)acetyl-5-substituted furans and thiophenes [Internet]. Journal of Molecular Structure. 2022 ; 1261 1-21 art. 132895.[citado 2026 fev. 17 ] Available from: https://doi.org/10.1016/j.molstruc.2022.132895
Tese (Doutorado)
Efeito do solvente em cálculos de tensor blindagem e constante de acoplamento de complexos dinucleares de platina(III) via dinâmica molecular ab initio (2022)
Batista, Patrick Rodrigues ; Ducati, Lucas Colucci
Unidade: IQ
Subjects: FÍSICO-QUÍMICA ORGÂNICA, RESSONÂNCIA MAGNÉTICA NUCLEAR, ESTRUTURA ELETRÔNICA
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ABNT
BATISTA, Patrick Rodrigues e DUCATI, Lucas Colucci. Efeito do solvente em cálculos de tensor blindagem e constante de acoplamento de complexos dinucleares de platina(III) via dinâmica molecular ab initio. 2022. Tese (Doutorado) – Universidade de São Paulo, São Paulo, 2022. Disponível em: https://www.teses.usp.br/teses/disponiveis/46/46136/tde-06092022-150129/. Acesso em: 17 fev. 2026.
APA
Batista, P. R., & Ducati, L. C. (2022). Efeito do solvente em cálculos de tensor blindagem e constante de acoplamento de complexos dinucleares de platina(III) via dinâmica molecular ab initio (Tese (Doutorado). Universidade de São Paulo, São Paulo. Recuperado de https://www.teses.usp.br/teses/disponiveis/46/46136/tde-06092022-150129/
NLM
Batista PR, Ducati LC. Efeito do solvente em cálculos de tensor blindagem e constante de acoplamento de complexos dinucleares de platina(III) via dinâmica molecular ab initio [Internet]. 2022 ;[citado 2026 fev. 17 ] Available from: https://www.teses.usp.br/teses/disponiveis/46/46136/tde-06092022-150129/
Vancouver
Batista PR, Ducati LC. Efeito do solvente em cálculos de tensor blindagem e constante de acoplamento de complexos dinucleares de platina(III) via dinâmica molecular ab initio [Internet]. 2022 ;[citado 2026 fev. 17 ] Available from: https://www.teses.usp.br/teses/disponiveis/46/46136/tde-06092022-150129/
Artigo de periodico
Conformational analysis and electronic interactions of some 2- [2 -(4 -sustituted-phenylsulfanyl)-acetyl]-5-substituted furans and 2- [2 -(phenylselanyl)-acetyl]-5-methylfuran (2021)
Valença, Jéssica; Olivato, Paulo Roberto ; Rodrigues, Daniel Nopper Silva ; Batista, Patrick Rodrigues ; Ducati, Lucas Colucci ; Colle, Maurizio Dal
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: ESPECTROSCOPIA INFRAVERMELHA, COMPOSTOS HETEROCÍCLICOS, SOLVENTE
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ABNT
VALENÇA, Jéssica et al. Conformational analysis and electronic interactions of some 2- [2 -(4 -sustituted-phenylsulfanyl)-acetyl]-5-substituted furans and 2- [2 -(phenylselanyl)-acetyl]-5-methylfuran. Journal of Molecular Structure, v. 1225, p. 1-15 art. 129088, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2020.129088. Acesso em: 17 fev. 2026.
APA
Valença, J., Olivato, P. R., Rodrigues, D. N. S., Batista, P. R., Ducati, L. C., & Colle, M. D. (2021). Conformational analysis and electronic interactions of some 2- [2 -(4 -sustituted-phenylsulfanyl)-acetyl]-5-substituted furans and 2- [2 -(phenylselanyl)-acetyl]-5-methylfuran. Journal of Molecular Structure, 1225, 1-15 art. 129088. doi:10.1016/j.molstruc.2020.129088
NLM
Valença J, Olivato PR, Rodrigues DNS, Batista PR, Ducati LC, Colle MD. Conformational analysis and electronic interactions of some 2- [2 -(4 -sustituted-phenylsulfanyl)-acetyl]-5-substituted furans and 2- [2 -(phenylselanyl)-acetyl]-5-methylfuran [Internet]. Journal of Molecular Structure. 2021 ; 1225 1-15 art. 129088.[citado 2026 fev. 17 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129088
Vancouver
Valença J, Olivato PR, Rodrigues DNS, Batista PR, Ducati LC, Colle MD. Conformational analysis and electronic interactions of some 2- [2 -(4 -sustituted-phenylsulfanyl)-acetyl]-5-substituted furans and 2- [2 -(phenylselanyl)-acetyl]-5-methylfuran [Internet]. Journal of Molecular Structure. 2021 ; 1225 1-15 art. 129088.[citado 2026 fev. 17 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129088
Artigo de periodico
p-Aminobenzoic acid protonation dynamics in an evaporating droplet by ab initio molecular dynamics (2021)
Batista, Patrick Rodrigues ; Penna, Tatiana Casselli ; Ducati, Lucas Colucci ; Correra, Thiago Carita
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: ESPECTROMETRIA DE MASSAS, SOLVENTE, TERMODINÂMICA QUÍMICA
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ABNT
BATISTA, Patrick Rodrigues et al. p-Aminobenzoic acid protonation dynamics in an evaporating droplet by ab initio molecular dynamics. Physical Chemistry Chemical Physics, v. 23, n. 35, p. 19659-19672, 2021Tradução . . Disponível em: https://doi.org/10.1039/d1cp01495a. Acesso em: 17 fev. 2026.
APA
Batista, P. R., Penna, T. C., Ducati, L. C., & Correra, T. C. (2021). p-Aminobenzoic acid protonation dynamics in an evaporating droplet by ab initio molecular dynamics. Physical Chemistry Chemical Physics, 23( 35), 19659-19672. doi:10.1039/d1cp01495a
NLM
Batista PR, Penna TC, Ducati LC, Correra TC. p-Aminobenzoic acid protonation dynamics in an evaporating droplet by ab initio molecular dynamics [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23( 35): 19659-19672.[citado 2026 fev. 17 ] Available from: https://doi.org/10.1039/d1cp01495a
Vancouver
Batista PR, Penna TC, Ducati LC, Correra TC. p-Aminobenzoic acid protonation dynamics in an evaporating droplet by ab initio molecular dynamics [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23( 35): 19659-19672.[citado 2026 fev. 17 ] Available from: https://doi.org/10.1039/d1cp01495a
Artigo de periodico
Solvent effect on the 195Pt NMR properties in pyridonate-bridged PtIII dinuclear complex derivatives by ab Initio molecular dynamics and localized orbital analysis (2021)
Batista, Patrick Rodrigues ; Ducati, Lucas Colucci ; Autschbach, Jochen
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: SOLVENTE, CONSTANTES QUÍMICAS, SPIN, SOLVATAÇÃO, RESSONÂNCIA MAGNÉTICA NUCLEAR
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ABNT
BATISTA, Patrick Rodrigues e DUCATI, Lucas Colucci e AUTSCHBACH, Jochen. Solvent effect on the 195Pt NMR properties in pyridonate-bridged PtIII dinuclear complex derivatives by ab Initio molecular dynamics and localized orbital analysis. Physical Chemistry Chemical Physics, v. 23, p. 12864–12880, 2021Tradução . . Disponível em: https://doi.org/10.1039/D0CP05849A. Acesso em: 17 fev. 2026.
APA
Batista, P. R., Ducati, L. C., & Autschbach, J. (2021). Solvent effect on the 195Pt NMR properties in pyridonate-bridged PtIII dinuclear complex derivatives by ab Initio molecular dynamics and localized orbital analysis. Physical Chemistry Chemical Physics, 23, 12864–12880. doi:10.1039/D0CP05849A
NLM
Batista PR, Ducati LC, Autschbach J. Solvent effect on the 195Pt NMR properties in pyridonate-bridged PtIII dinuclear complex derivatives by ab Initio molecular dynamics and localized orbital analysis [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 12864–12880.[citado 2026 fev. 17 ] Available from: https://doi.org/10.1039/D0CP05849A
Vancouver
Batista PR, Ducati LC, Autschbach J. Solvent effect on the 195Pt NMR properties in pyridonate-bridged PtIII dinuclear complex derivatives by ab Initio molecular dynamics and localized orbital analysis [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 12864–12880.[citado 2026 fev. 17 ] Available from: https://doi.org/10.1039/D0CP05849A
Artigo de periodico
Flow synthesis of 2-[methyl(pyridin-2-yl)amino]ethanol: an experimental and computational study (2021)
Calvo, Paulo Victor Cuesta ; Batista, Patrick Rodrigues ; Silva, Renan Rodrigues de Oliveira; Arni, Saleh Al ; Solisio, Carlo; Ducati, Lucas Colucci ; Palma, Mauri Sérgio Alves
Source: Chemical Engineering Technology. Unidades: IQ, FCF
Subjects: SÍNTESE ORGÂNICA, MEDICAMENTO, TERMODINÂMICA QUÍMICA
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ABNT
CALVO, Paulo Victor Cuesta et al. Flow synthesis of 2-[methyl(pyridin-2-yl)amino]ethanol: an experimental and computational study. Chemical Engineering Technology, v. 44, n. 2, p. 283–290, 2021Tradução . . Disponível em: https://doi.org/10.1002/ceat.202000423. Acesso em: 17 fev. 2026.
APA
Calvo, P. V. C., Batista, P. R., Silva, R. R. de O., Arni, S. A., Solisio, C., Ducati, L. C., & Palma, M. S. A. (2021). Flow synthesis of 2-[methyl(pyridin-2-yl)amino]ethanol: an experimental and computational study. Chemical Engineering Technology, 44( 2), 283–290. doi:10.1002/ceat.202000423
NLM
Calvo PVC, Batista PR, Silva RR de O, Arni SA, Solisio C, Ducati LC, Palma MSA. Flow synthesis of 2-[methyl(pyridin-2-yl)amino]ethanol: an experimental and computational study [Internet]. Chemical Engineering Technology. 2021 ; 44( 2): 283–290.[citado 2026 fev. 17 ] Available from: https://doi.org/10.1002/ceat.202000423
Vancouver
Calvo PVC, Batista PR, Silva RR de O, Arni SA, Solisio C, Ducati LC, Palma MSA. Flow synthesis of 2-[methyl(pyridin-2-yl)amino]ethanol: an experimental and computational study [Internet]. Chemical Engineering Technology. 2021 ; 44( 2): 283–290.[citado 2026 fev. 17 ] Available from: https://doi.org/10.1002/ceat.202000423
Artigo de periodico
Analyzing the N–H+…π interactions of protonated tryptophan and phenylalkylamines using QTAIM, NCI, and NBO (2020)
Oliveira, Andre F. Rodrigues ; Batista, Patrick Rodrigues ; Ducati, Lucas Colucci ; Correra, Thiago Carita
Source: Theoretical Chemistry Accounts. Unidade: IQ
Subjects: INTERAÇÃO QUÍMICA, MOLÉCULA
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ABNT
OLIVEIRA, Andre F. Rodrigues et al. Analyzing the N–H+…π interactions of protonated tryptophan and phenylalkylamines using QTAIM, NCI, and NBO. Theoretical Chemistry Accounts, v. 139, p. 1-9 art. 130, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00214-020-02643-7. Acesso em: 17 fev. 2026.
APA
Oliveira, A. F. R., Batista, P. R., Ducati, L. C., & Correra, T. C. (2020). Analyzing the N–H+…π interactions of protonated tryptophan and phenylalkylamines using QTAIM, NCI, and NBO. Theoretical Chemistry Accounts, 139, 1-9 art. 130. doi:10.1007/s00214-020-02643-7
NLM
Oliveira AFR, Batista PR, Ducati LC, Correra TC. Analyzing the N–H+…π interactions of protonated tryptophan and phenylalkylamines using QTAIM, NCI, and NBO [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-9 art. 130.[citado 2026 fev. 17 ] Available from: https://doi.org/10.1007/s00214-020-02643-7
Vancouver
Oliveira AFR, Batista PR, Ducati LC, Correra TC. Analyzing the N–H+…π interactions of protonated tryptophan and phenylalkylamines using QTAIM, NCI, and NBO [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-9 art. 130.[citado 2026 fev. 17 ] Available from: https://doi.org/10.1007/s00214-020-02643-7

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