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Artigo de periodico
Dealing with hydrogen bonding on the conformational preference of 1,3-Aminopropanols: experimental and molecular dynamics approaches (2019)
Batista, Patrick Rodrigues ; Karas, Lucas J ; Viesser, Renan V ; Oliveira, Cynthia C. de; Gonçalves, Marcos B; Tormena, Cláudio F ; Rittner, Roberto; Ducati, Lucas Colucci ; Oliveira, Paulo R. de
Fonte: Journal of Physical Chemistry A. Unidade: IQ
Assuntos: HIDROGÊNIO, SOLVENTE
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ABNT
BATISTA, Patrick Rodrigues et al. Dealing with hydrogen bonding on the conformational preference of 1,3-Aminopropanols: experimental and molecular dynamics approaches. Journal of Physical Chemistry A, v. 123, p. 8583-8594, 2019Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.9b05619. Acesso em: 03 nov. 2024.
APA
Batista, P. R., Karas, L. J., Viesser, R. V., Oliveira, C. C. de, Gonçalves, M. B., Tormena, C. F., et al. (2019). Dealing with hydrogen bonding on the conformational preference of 1,3-Aminopropanols: experimental and molecular dynamics approaches. Journal of Physical Chemistry A, 123, 8583-8594. doi:10.1021/acs.jpca.9b05619
NLM
Batista PR, Karas LJ, Viesser RV, Oliveira CC de, Gonçalves MB, Tormena CF, Rittner R, Ducati LC, Oliveira PR de. Dealing with hydrogen bonding on the conformational preference of 1,3-Aminopropanols: experimental and molecular dynamics approaches [Internet]. Journal of Physical Chemistry A. 2019 ; 123 8583-8594.[citado 2024 nov. 03 ] Available from: https://doi.org/10.1021/acs.jpca.9b05619
Vancouver
Batista PR, Karas LJ, Viesser RV, Oliveira CC de, Gonçalves MB, Tormena CF, Rittner R, Ducati LC, Oliveira PR de. Dealing with hydrogen bonding on the conformational preference of 1,3-Aminopropanols: experimental and molecular dynamics approaches [Internet]. Journal of Physical Chemistry A. 2019 ; 123 8583-8594.[citado 2024 nov. 03 ] Available from: https://doi.org/10.1021/acs.jpca.9b05619
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
Fonte: RSC Advances. Unidade: IQ
Assuntos: AMINOÁCIDOS, ESPECTROSCOPIA INFRAVERMELHA
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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: 03 nov. 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 nov. 03 ] 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 nov. 03 ] Available from: https://doi.org/10.1039/c4ra14480e
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
Fonte: Journal of Molecular Modeling. Unidade: IQ
Assunto: COMPOSTOS ORGÂNICOS
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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: 03 nov. 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 nov. 03 ] 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 nov. 03 ] 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
Fonte: Journal of Physical Chemistry A. Unidade: IQ
Assuntos: RESSONÂNCIA MAGNÉTICA NUCLEAR, AMINOÁCIDOS
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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: 03 nov. 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 nov. 03 ] 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 nov. 03 ] 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
Fonte: Spectrochimica Acta A. Unidade: IQ
Assunto: FÍSICO-QUÍMICA ORGÂNICA
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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: 03 nov. 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 nov. 03 ] 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 nov. 03 ] Available from: https://doi.org/10.1016/j.saa.2013.12.088
Artigo de periodico
13C NMR: nJCH and 1JCC scalar spin–spin coupling constants (SSCCs) for some 3-monosubstituted 2-methylpropenes (2014)
Schuquel, Ivânia T. A; Ducati, Lucas Colucci ; Tormena, Cláudio Francisco; Freitas, Matheus P. de; Kowalewski, Dora G. de; Rittner, Roberto
Fonte: Journal of Molecular Structure. Unidade: IQ
Assuntos: ESPECTROSCOPIA DE RESSONÂNCIA MAGNÉTICA NUCLEAR, CONSTANTES QUÍMICAS
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ABNT
SCHUQUEL, Ivânia T. A et al. 13C NMR: nJCH and 1JCC scalar spin–spin coupling constants (SSCCs) for some 3-monosubstituted 2-methylpropenes. Journal of Molecular Structure, v. 1068, n. 25, p. 170-175, 2014Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2014.04.008. Acesso em: 03 nov. 2024.
APA
Schuquel, I. T. A., Ducati, L. C., Tormena, C. F., Freitas, M. P. de, Kowalewski, D. G. de, & Rittner, R. (2014). 13C NMR: nJCH and 1JCC scalar spin–spin coupling constants (SSCCs) for some 3-monosubstituted 2-methylpropenes. Journal of Molecular Structure, 1068( 25), 170-175. doi:10.1016/j.molstruc.2014.04.008
NLM
Schuquel ITA, Ducati LC, Tormena CF, Freitas MP de, Kowalewski DG de, Rittner R. 13C NMR: nJCH and 1JCC scalar spin–spin coupling constants (SSCCs) for some 3-monosubstituted 2-methylpropenes [Internet]. Journal of Molecular Structure. 2014 ; 1068( 25): 170-175.[citado 2024 nov. 03 ] Available from: https://doi.org/10.1016/j.molstruc.2014.04.008
Vancouver
Schuquel ITA, Ducati LC, Tormena CF, Freitas MP de, Kowalewski DG de, Rittner R. 13C NMR: nJCH and 1JCC scalar spin–spin coupling constants (SSCCs) for some 3-monosubstituted 2-methylpropenes [Internet]. Journal of Molecular Structure. 2014 ; 1068( 25): 170-175.[citado 2024 nov. 03 ] Available from: https://doi.org/10.1016/j.molstruc.2014.04.008
Artigo de periodico
A theoretical and experimental ¹H NMR spectroscopy study of the stereoelectronic interactions that rule the conformational energies of alanine and valine methyl ester (2013)
Cormanich, Rodrigo A; Ducati, Lucas Colucci ; Tormena, Cláudio Francisco; Rittner, Roberto
Fonte: Journal of Physical Organic Chemistry. Unidade: IQ
Assuntos: AMINOÁCIDOS, ESTEREOQUÍMICA
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ABNT
CORMANICH, Rodrigo A et al. A theoretical and experimental ¹H NMR spectroscopy study of the stereoelectronic interactions that rule the conformational energies of alanine and valine methyl ester. Journal of Physical Organic Chemistry, v. 26, n. 10, p. 849-857, 2013Tradução . . Disponível em: https://doi.org/10.1002/poc.3180. Acesso em: 03 nov. 2024.
APA
Cormanich, R. A., Ducati, L. C., Tormena, C. F., & Rittner, R. (2013). A theoretical and experimental ¹H NMR spectroscopy study of the stereoelectronic interactions that rule the conformational energies of alanine and valine methyl ester. Journal of Physical Organic Chemistry, 26( 10), 849-857. doi:10.1002/poc.3180
NLM
Cormanich RA, Ducati LC, Tormena CF, Rittner R. A theoretical and experimental ¹H NMR spectroscopy study of the stereoelectronic interactions that rule the conformational energies of alanine and valine methyl ester [Internet]. Journal of Physical Organic Chemistry. 2013 ; 26( 10): 849-857.[citado 2024 nov. 03 ] Available from: https://doi.org/10.1002/poc.3180
Vancouver
Cormanich RA, Ducati LC, Tormena CF, Rittner R. A theoretical and experimental ¹H NMR spectroscopy study of the stereoelectronic interactions that rule the conformational energies of alanine and valine methyl ester [Internet]. Journal of Physical Organic Chemistry. 2013 ; 26( 10): 849-857.[citado 2024 nov. 03 ] Available from: https://doi.org/10.1002/poc.3180
Artigo de periodico
A theoretical investigation of the dictating forces in small amino acid conformational preferences: the case of glycine, sarcosine and N,N-dimethylglycine (2013)
Cormanich, Rodrigo Antônio; Ducati, Lucas Colucci ; Tormena, Cláudio Francisco; Rittner, Roberto
Fonte: Chemical Physics. Unidade: IQ
Assuntos: AMINOÁCIDOS, ESTEREOQUÍMICA
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ABNT
CORMANICH, Rodrigo Antônio et al. A theoretical investigation of the dictating forces in small amino acid conformational preferences: the case of glycine, sarcosine and N,N-dimethylglycine. Chemical Physics, v. 421, p. 32-38, 2013Tradução . . Disponível em: https://doi.org/10.1016/j.chemphys.2013.05.007. Acesso em: 03 nov. 2024.
APA
Cormanich, R. A., Ducati, L. C., Tormena, C. F., & Rittner, R. (2013). A theoretical investigation of the dictating forces in small amino acid conformational preferences: the case of glycine, sarcosine and N,N-dimethylglycine. Chemical Physics, 421, 32-38. doi:10.1016/j.chemphys.2013.05.007
NLM
Cormanich RA, Ducati LC, Tormena CF, Rittner R. A theoretical investigation of the dictating forces in small amino acid conformational preferences: the case of glycine, sarcosine and N,N-dimethylglycine [Internet]. Chemical Physics. 2013 ; 421 32-38.[citado 2024 nov. 03 ] Available from: https://doi.org/10.1016/j.chemphys.2013.05.007
Vancouver
Cormanich RA, Ducati LC, Tormena CF, Rittner R. A theoretical investigation of the dictating forces in small amino acid conformational preferences: the case of glycine, sarcosine and N,N-dimethylglycine [Internet]. Chemical Physics. 2013 ; 421 32-38.[citado 2024 nov. 03 ] Available from: https://doi.org/10.1016/j.chemphys.2013.05.007
Artigo de periodico
A critical evaluation of the s-cis–trans isomerism of 2-acetylpyrrole and its N-methyl derivative through infrared and NMR spectroscopies and theoretical calculations (2013)
Ducati, Lucas Colucci ; Braga, Carolyne B; Rittner, Roberto; Tormena, Cláudio Francisco
Fonte: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. Unidade: IQ
Assuntos: ESPECTROSCOPIA INFRAVERMELHA, ISÔMERO
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ABNT
DUCATI, Lucas Colucci et al. A critical evaluation of the s-cis–trans isomerism of 2-acetylpyrrole and its N-methyl derivative through infrared and NMR spectroscopies and theoretical calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, v. 116, p. 196-203, 2013Tradução . . Disponível em: https://doi.org/10.1016/j.saa.2013.07.024. Acesso em: 03 nov. 2024.
APA
Ducati, L. C., Braga, C. B., Rittner, R., & Tormena, C. F. (2013). A critical evaluation of the s-cis–trans isomerism of 2-acetylpyrrole and its N-methyl derivative through infrared and NMR spectroscopies and theoretical calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 116, 196-203. doi:10.1016/j.saa.2013.07.024
NLM
Ducati LC, Braga CB, Rittner R, Tormena CF. A critical evaluation of the s-cis–trans isomerism of 2-acetylpyrrole and its N-methyl derivative through infrared and NMR spectroscopies and theoretical calculations [Internet]. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2013 ; 116 196-203.[citado 2024 nov. 03 ] Available from: https://doi.org/10.1016/j.saa.2013.07.024
Vancouver
Ducati LC, Braga CB, Rittner R, Tormena CF. A critical evaluation of the s-cis–trans isomerism of 2-acetylpyrrole and its N-methyl derivative through infrared and NMR spectroscopies and theoretical calculations [Internet]. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2013 ; 116 196-203.[citado 2024 nov. 03 ] Available from: https://doi.org/10.1016/j.saa.2013.07.024
Artigo de periodico
`ANTPOT. 1H´ NMR and theoretical studies on the conformational equilibrium of tryptophan methyl ester (2013)
Duarte, Claudimar J; Cormanich, Rodrigo A; Ducati, Lucas Colucci ; Rittner, Roberto
Fonte: Journal of Molecular Structure. Unidade: IQ
Assuntos: AMINOÁCIDOS, ESTEREOQUÍMICA
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ABNT
DUARTE, Claudimar J et al. `ANTPOT. 1H´ NMR and theoretical studies on the conformational equilibrium of tryptophan methyl ester. Journal of Molecular Structure, v. 1050, p. 174-179, 2013Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2013.07.024. Acesso em: 03 nov. 2024.
APA
Duarte, C. J., Cormanich, R. A., Ducati, L. C., & Rittner, R. (2013). `ANTPOT. 1H´ NMR and theoretical studies on the conformational equilibrium of tryptophan methyl ester. Journal of Molecular Structure, 1050, 174-179. doi:10.1016/j.molstruc.2013.07.024
NLM
Duarte CJ, Cormanich RA, Ducati LC, Rittner R. `ANTPOT. 1H´ NMR and theoretical studies on the conformational equilibrium of tryptophan methyl ester [Internet]. Journal of Molecular Structure. 2013 ; 1050 174-179.[citado 2024 nov. 03 ] Available from: https://doi.org/10.1016/j.molstruc.2013.07.024
Vancouver
Duarte CJ, Cormanich RA, Ducati LC, Rittner R. `ANTPOT. 1H´ NMR and theoretical studies on the conformational equilibrium of tryptophan methyl ester [Internet]. Journal of Molecular Structure. 2013 ; 1050 174-179.[citado 2024 nov. 03 ] Available from: https://doi.org/10.1016/j.molstruc.2013.07.024
Trabalho de evento-resumo
NMR, infrared and theoretical studies on conformational preferences of L-aspartic acid dimethyl ester (2013)
Braga, Carolyne B; Ducati, Lucas Colucci ; Rittner, Roberto
Fonte: Abstracts. Nome do evento: Small Molecule NMR Conference. Unidade: IQ
Assuntos: ESTEREOQUÍMICA, ESPECTROSCOPIA INFRAVERMELHA
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ABNT
BRAGA, Carolyne B e DUCATI, Lucas Colucci e RITTNER, Roberto. NMR, infrared and theoretical studies on conformational preferences of L-aspartic acid dimethyl ester. 2013, Anais.. Santiago de Compostela: University of Santiago de Compostela - Faculty of Chemistry, 2013. . Acesso em: 03 nov. 2024.
APA
Braga, C. B., Ducati, L. C., & Rittner, R. (2013). NMR, infrared and theoretical studies on conformational preferences of L-aspartic acid dimethyl ester. In Abstracts. Santiago de Compostela: University of Santiago de Compostela - Faculty of Chemistry.
NLM
Braga CB, Ducati LC, Rittner R. NMR, infrared and theoretical studies on conformational preferences of L-aspartic acid dimethyl ester. Abstracts. 2013 ;[citado 2024 nov. 03 ]
Vancouver
Braga CB, Ducati LC, Rittner R. NMR, infrared and theoretical studies on conformational preferences of L-aspartic acid dimethyl ester. Abstracts. 2013 ;[citado 2024 nov. 03 ]
Trabalho de evento-resumo
A theoretical and experimental study on conformational equilibrium of L-proline methyl esther (2013)
Braga, Carolyne B; Ducati, Lucas Colucci ; Tormena, Cláudio Francisco; Rittner, Roberto
Fonte: Abstract Book. Nome do evento: Conferência Latinoamericana de Físico Química Orgânica. Unidade: IQ
Assunto: FÍSICO-QUÍMICA ORGÂNICA
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ABNT
BRAGA, Carolyne B et al. A theoretical and experimental study on conformational equilibrium of L-proline methyl esther. 2013, Anais.. Florianópolis: Universidade Federal de Santa Catarina (UFSC), 2013. . Acesso em: 03 nov. 2024.
APA
Braga, C. B., Ducati, L. C., Tormena, C. F., & Rittner, R. (2013). A theoretical and experimental study on conformational equilibrium of L-proline methyl esther. In Abstract Book. Florianópolis: Universidade Federal de Santa Catarina (UFSC).
NLM
Braga CB, Ducati LC, Tormena CF, Rittner R. A theoretical and experimental study on conformational equilibrium of L-proline methyl esther. Abstract Book. 2013 ;[citado 2024 nov. 03 ]
Vancouver
Braga CB, Ducati LC, Tormena CF, Rittner R. A theoretical and experimental study on conformational equilibrium of L-proline methyl esther. Abstract Book. 2013 ;[citado 2024 nov. 03 ]

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