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Artigo de periodico
Dynamic and relativistic effects on Pt–Pt indirect spin–spin coupling in aqueous solution studied by ab initio molecular dynamics and two- vs four-component density functional NMR calculations (2024)
Batista, Patrick Rodrigues ; Ducati, Lucas Colucci ; Autschbach, Jochen
Source: Journal of Chemical Physics. Unidade: IQ
Subjects: RESSONÂNCIA MAGNÉTICA NUCLEAR, QUÍMICA QUÂNTICA
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ABNT
BATISTA, Patrick Rodrigues e DUCATI, Lucas Colucci e AUTSCHBACH, Jochen. Dynamic and relativistic effects on Pt–Pt indirect spin–spin coupling in aqueous solution studied by ab initio molecular dynamics and two- vs four-component density functional NMR calculations. Journal of Chemical Physics, v. 160, p. 1-13 art. 114307, 2024Tradução . . Disponível em: https://dx.doi.org/10.1063/5.0196853. Acesso em: 23 maio 2024.
APA
Batista, P. R., Ducati, L. C., & Autschbach, J. (2024). Dynamic and relativistic effects on Pt–Pt indirect spin–spin coupling in aqueous solution studied by ab initio molecular dynamics and two- vs four-component density functional NMR calculations. Journal of Chemical Physics, 160, 1-13 art. 114307. doi:10.1063/5.0196853
NLM
Batista PR, Ducati LC, Autschbach J. Dynamic and relativistic effects on Pt–Pt indirect spin–spin coupling in aqueous solution studied by ab initio molecular dynamics and two- vs four-component density functional NMR calculations [Internet]. Journal of Chemical Physics. 2024 ; 160 1-13 art. 114307.[citado 2024 maio 23 ] Available from: https://dx.doi.org/10.1063/5.0196853
Vancouver
Batista PR, Ducati LC, Autschbach J. Dynamic and relativistic effects on Pt–Pt indirect spin–spin coupling in aqueous solution studied by ab initio molecular dynamics and two- vs four-component density functional NMR calculations [Internet]. Journal of Chemical Physics. 2024 ; 160 1-13 art. 114307.[citado 2024 maio 23 ] Available from: https://dx.doi.org/10.1063/5.0196853
Artigo de periodico
Inquiring 199Hg NMR Parameters by Combining Ab Initio Molecular Dynamics and Relativistic NMR Calculations (2024)
Schenberg, Leonardo Araujo ; Ducati, Lucas Colucci ; Autschbach, Jochen
Source: Inorganic Chemistry. Unidade: IQ
Subjects: RESSONÂNCIA MAGNÉTICA NUCLEAR, MERCÚRIO (ELEMENTO QUÍMICO), MOLÉCULA, SOLVENTE
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SCHENBERG, Leonardo Araujo e DUCATI, Lucas Colucci e AUTSCHBACH, Jochen. Inquiring 199Hg NMR Parameters by Combining Ab Initio Molecular Dynamics and Relativistic NMR Calculations. Inorganic Chemistry, v. 63, p. 2082−2089, 2024Tradução . . Disponível em: https://dx.doi.org/10.1021/acs.inorgchem.3c03878. Acesso em: 23 maio 2024.
APA
Schenberg, L. A., Ducati, L. C., & Autschbach, J. (2024). Inquiring 199Hg NMR Parameters by Combining Ab Initio Molecular Dynamics and Relativistic NMR Calculations. Inorganic Chemistry, 63, 2082−2089. doi:10.1021/acs.inorgchem.3c03878
NLM
Schenberg LA, Ducati LC, Autschbach J. Inquiring 199Hg NMR Parameters by Combining Ab Initio Molecular Dynamics and Relativistic NMR Calculations [Internet]. Inorganic Chemistry. 2024 ; 63 2082−2089.[citado 2024 maio 23 ] Available from: https://dx.doi.org/10.1021/acs.inorgchem.3c03878
Vancouver
Schenberg LA, Ducati LC, Autschbach J. Inquiring 199Hg NMR Parameters by Combining Ab Initio Molecular Dynamics and Relativistic NMR Calculations [Internet]. Inorganic Chemistry. 2024 ; 63 2082−2089.[citado 2024 maio 23 ] Available from: https://dx.doi.org/10.1021/acs.inorgchem.3c03878
Artigo de periodico
Computational predictions on Brønsted acidic ionic liquid-catalyzed carbon dioxide conversion to five-membered heterocyclic carbonyl derivatives (2023)
Abdullayev, Yusif ; Karimova, Nazani; Schenberg, Leonardo Araujo; Ducati, Lucas Colucci ; Autschbach, Jochen
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: LÍQUIDOS IÔNICOS, DIÓXIDO DE CARBONO
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ABNT
ABDULLAYEV, Yusif et al. Computational predictions on Brønsted acidic ionic liquid-catalyzed carbon dioxide conversion to five-membered heterocyclic carbonyl derivatives. Physical Chemistry Chemical Physics, v. 25, p. 8624–8630, 2023Tradução . . Disponível em: https://doi.org/10.1039/d2cp05877d. Acesso em: 23 maio 2024.
APA
Abdullayev, Y., Karimova, N., Schenberg, L. A., Ducati, L. C., & Autschbach, J. (2023). Computational predictions on Brønsted acidic ionic liquid-catalyzed carbon dioxide conversion to five-membered heterocyclic carbonyl derivatives. Physical Chemistry Chemical Physics, 25, 8624–8630. doi:10.1039/d2cp05877d
NLM
Abdullayev Y, Karimova N, Schenberg LA, Ducati LC, Autschbach J. Computational predictions on Brønsted acidic ionic liquid-catalyzed carbon dioxide conversion to five-membered heterocyclic carbonyl derivatives [Internet]. Physical Chemistry Chemical Physics. 2023 ; 25 8624–8630.[citado 2024 maio 23 ] Available from: https://doi.org/10.1039/d2cp05877d
Vancouver
Abdullayev Y, Karimova N, Schenberg LA, Ducati LC, Autschbach J. Computational predictions on Brønsted acidic ionic liquid-catalyzed carbon dioxide conversion to five-membered heterocyclic carbonyl derivatives [Internet]. Physical Chemistry Chemical Physics. 2023 ; 25 8624–8630.[citado 2024 maio 23 ] Available from: https://doi.org/10.1039/d2cp05877d
Artigo de periodico
Americium oxalate: an experimental and computational investigation of metal–ligand Bonding (2023)
Arteaga, Ana ; Nicholas, Aaron D ; Ducati, Lucas Colucci ; Autschbach, Jochen ; Surbella III, Robert G
Source: Inorganic Chemistry. Unidade: IQ
Subjects: LUMINESCÊNCIA, METAIS
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ABNT
ARTEAGA, Ana et al. Americium oxalate: an experimental and computational investigation of metal–ligand Bonding. Inorganic Chemistry, v. 62, p. 4814−4822, 2023Tradução . . Disponível em: https://doi.org/10.1021/acs.inorgchem.2c03976. Acesso em: 23 maio 2024.
APA
Arteaga, A., Nicholas, A. D., Ducati, L. C., Autschbach, J., & Surbella III, R. G. (2023). Americium oxalate: an experimental and computational investigation of metal–ligand Bonding. Inorganic Chemistry, 62, 4814−4822. doi:10.1021/acs.inorgchem.2c03976
NLM
Arteaga A, Nicholas AD, Ducati LC, Autschbach J, Surbella III RG. Americium oxalate: an experimental and computational investigation of metal–ligand Bonding [Internet]. Inorganic Chemistry. 2023 ; 62 4814−4822.[citado 2024 maio 23 ] Available from: https://doi.org/10.1021/acs.inorgchem.2c03976
Vancouver
Arteaga A, Nicholas AD, Ducati LC, Autschbach J, Surbella III RG. Americium oxalate: an experimental and computational investigation of metal–ligand Bonding [Internet]. Inorganic Chemistry. 2023 ; 62 4814−4822.[citado 2024 maio 23 ] Available from: https://doi.org/10.1021/acs.inorgchem.2c03976
Artigo de periodico
Insight into the structural and emissive behavior of a 3-Dimensional americium(III) Formate coordination polymer (2023)
Nicholas, Aaron D ; Arteaga, Ana ; Ducati, Lucas Colucci ; Buck, Edgar C; Autschbach, Jochen ; Surbella III, Robert G
Source: Chemistry A Europeam Journal. Unidade: IQ
Subjects: HIDRÓLISE, ESPECTROSCOPIA INFRAVERMELHA
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ABNT
NICHOLAS, Aaron D et al. Insight into the structural and emissive behavior of a 3-Dimensional americium(III) Formate coordination polymer. Chemistry A Europeam Journal, n. 41, p. 1-10, 2023Tradução . . Disponível em: https://dx.doi.org/10.1002/chem.202300077. Acesso em: 23 maio 2024.
APA
Nicholas, A. D., Arteaga, A., Ducati, L. C., Buck, E. C., Autschbach, J., & Surbella III, R. G. (2023). Insight into the structural and emissive behavior of a 3-Dimensional americium(III) Formate coordination polymer. Chemistry A Europeam Journal, ( 41), 1-10. doi:10.1002/chem.202300077
NLM
Nicholas AD, Arteaga A, Ducati LC, Buck EC, Autschbach J, Surbella III RG. Insight into the structural and emissive behavior of a 3-Dimensional americium(III) Formate coordination polymer [Internet]. Chemistry A Europeam Journal. 2023 ;( 41): 1-10.[citado 2024 maio 23 ] Available from: https://dx.doi.org/10.1002/chem.202300077
Vancouver
Nicholas AD, Arteaga A, Ducati LC, Buck EC, Autschbach J, Surbella III RG. Insight into the structural and emissive behavior of a 3-Dimensional americium(III) Formate coordination polymer [Internet]. Chemistry A Europeam Journal. 2023 ;( 41): 1-10.[citado 2024 maio 23 ] Available from: https://dx.doi.org/10.1002/chem.202300077
Artigo de periodico
Plutonium hybrid materials: a platform to explore assembly and metal−ligand bonding (2022)
Surbella III, Robert G ; Ducati, Lucas Colucci ; Schofield, Mark H ; McNamara, Bruce K; Pellegrini, Kristi L; Corbey, Jordan F ; Schwantes, Jon M ; Autschbach, Jochen ; Cahill, Christopher L
Source: Inorganic Chemistry. Unidade: IQ
Subjects: PLUTÔNIO, REATORES NUCLEARES
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ABNT
SURBELLA III, Robert G et al. Plutonium hybrid materials: a platform to explore assembly and metal−ligand bonding. Inorganic Chemistry, v. 61, n. 45, p. 17963–17971, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.inorgchem.2c02084. Acesso em: 23 maio 2024.
APA
Surbella III, R. G., Ducati, L. C., Schofield, M. H., McNamara, B. K., Pellegrini, K. L., Corbey, J. F., et al. (2022). Plutonium hybrid materials: a platform to explore assembly and metal−ligand bonding. Inorganic Chemistry, 61( 45), 17963–17971. doi:10.1021/acs.inorgchem.2c02084
NLM
Surbella III RG, Ducati LC, Schofield MH, McNamara BK, Pellegrini KL, Corbey JF, Schwantes JM, Autschbach J, Cahill CL. Plutonium hybrid materials: a platform to explore assembly and metal−ligand bonding [Internet]. Inorganic Chemistry. 2022 ; 61( 45): 17963–17971.[citado 2024 maio 23 ] Available from: https://doi.org/10.1021/acs.inorgchem.2c02084
Vancouver
Surbella III RG, Ducati LC, Schofield MH, McNamara BK, Pellegrini KL, Corbey JF, Schwantes JM, Autschbach J, Cahill CL. Plutonium hybrid materials: a platform to explore assembly and metal−ligand bonding [Internet]. Inorganic Chemistry. 2022 ; 61( 45): 17963–17971.[citado 2024 maio 23 ] Available from: https://doi.org/10.1021/acs.inorgchem.2c02084
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: 23 maio 2024.
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 2024 maio 23 ] 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 2024 maio 23 ] Available from: https://doi.org/10.1039/D0CP05849A
Artigo de periodico
Quadrupolar 14N NMR relaxation from force-field and Ab initio molecular dynamics in different solvents (2019)
Philips, Adam; Marchenko, Alex; Ducati, Lucas Colucci ; Autschbach, Jochen
Source: Journal of Chemical Theory and Computation. Unidade: IQ
Subjects: SOLVENTE, RESSONÂNCIA MAGNÉTICA NUCLEAR
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ABNT
PHILIPS, Adam et al. Quadrupolar 14N NMR relaxation from force-field and Ab initio molecular dynamics in different solvents. Journal of Chemical Theory and Computation, v. 15, p. 509-519, 2019Tradução . . Disponível em: https://doi.org/10.1021/acs.jctc.8b00807. Acesso em: 23 maio 2024.
APA
Philips, A., Marchenko, A., Ducati, L. C., & Autschbach, J. (2019). Quadrupolar 14N NMR relaxation from force-field and Ab initio molecular dynamics in different solvents. Journal of Chemical Theory and Computation, 15, 509-519. doi:10.1021/acs.jctc.8b00807
NLM
Philips A, Marchenko A, Ducati LC, Autschbach J. Quadrupolar 14N NMR relaxation from force-field and Ab initio molecular dynamics in different solvents [Internet]. Journal of Chemical Theory and Computation. 2019 ; 15 509-519.[citado 2024 maio 23 ] Available from: https://doi.org/10.1021/acs.jctc.8b00807
Vancouver
Philips A, Marchenko A, Ducati LC, Autschbach J. Quadrupolar 14N NMR relaxation from force-field and Ab initio molecular dynamics in different solvents [Internet]. Journal of Chemical Theory and Computation. 2019 ; 15 509-519.[citado 2024 maio 23 ] Available from: https://doi.org/10.1021/acs.jctc.8b00807
Artigo de periodico
The halogen effect on the 'ANTPOT. 13C' NMR chemical shift in substituted benzenes (2018)
Viesser, Renan V; Ducati, Lucas Colucci ; Tormena, Cláudio Francisco; Autschbach, Jochen
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: HALOGÊNIOS, BENZENO
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ABNT
VIESSER, Renan V et al. The halogen effect on the 'ANTPOT. 13C' NMR chemical shift in substituted benzenes. Physical Chemistry Chemical Physics, v. 20, n. 16, p. 11247-11259, 2018Tradução . . Disponível em: https://doi.org/10.1039/C8CP01249K. Acesso em: 23 maio 2024.
APA
Viesser, R. V., Ducati, L. C., Tormena, C. F., & Autschbach, J. (2018). The halogen effect on the 'ANTPOT. 13C' NMR chemical shift in substituted benzenes. Physical Chemistry Chemical Physics, 20( 16), 11247-11259. doi:10.1039/C8CP01249K
NLM
Viesser RV, Ducati LC, Tormena CF, Autschbach J. The halogen effect on the 'ANTPOT. 13C' NMR chemical shift in substituted benzenes [Internet]. Physical Chemistry Chemical Physics. 2018 ; 20( 16): 11247-11259.[citado 2024 maio 23 ] Available from: https://doi.org/10.1039/C8CP01249K
Vancouver
Viesser RV, Ducati LC, Tormena CF, Autschbach J. The halogen effect on the 'ANTPOT. 13C' NMR chemical shift in substituted benzenes [Internet]. Physical Chemistry Chemical Physics. 2018 ; 20( 16): 11247-11259.[citado 2024 maio 23 ] Available from: https://doi.org/10.1039/C8CP01249K
Artigo de periodico
Thermochromic uranyl isothiocyanates: influencing charge transfer bands with supramolecular structure (2018)
Surbella, Robert G; Ducati, Lucas Colucci ; Autschbach, Jochen; Deife, Nicholas P; Cahill, Christopher L
Source: Inorganic Chemistry. Unidade: IQ
Subjects: LUMINESCÊNCIA, QUÍMICA INORGÂNICA
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ABNT
SURBELLA, Robert G et al. Thermochromic uranyl isothiocyanates: influencing charge transfer bands with supramolecular structure. Inorganic Chemistry, v. 57, n. 5 , p. 2455–2471, 2018Tradução . . Disponível em: https://doi.org/10.1021/acs.inorgchem.7b02702. Acesso em: 23 maio 2024.
APA
Surbella, R. G., Ducati, L. C., Autschbach, J., Deife, N. P., & Cahill, C. L. (2018). Thermochromic uranyl isothiocyanates: influencing charge transfer bands with supramolecular structure. Inorganic Chemistry, 57( 5 ), 2455–2471. doi:10.1021/acs.inorgchem.7b02702
NLM
Surbella RG, Ducati LC, Autschbach J, Deife NP, Cahill CL. Thermochromic uranyl isothiocyanates: influencing charge transfer bands with supramolecular structure [Internet]. Inorganic Chemistry. 2018 ; 57( 5 ): 2455–2471.[citado 2024 maio 23 ] Available from: https://doi.org/10.1021/acs.inorgchem.7b02702
Vancouver
Surbella RG, Ducati LC, Autschbach J, Deife NP, Cahill CL. Thermochromic uranyl isothiocyanates: influencing charge transfer bands with supramolecular structure [Internet]. Inorganic Chemistry. 2018 ; 57( 5 ): 2455–2471.[citado 2024 maio 23 ] Available from: https://doi.org/10.1021/acs.inorgchem.7b02702
Artigo de periodico
Plutonium chlorido nitrato complexes: ligand competition and computational metrics for assembly and bonding (2018)
Surbella, Robert G; Ducati, Lucas Colucci ; Autschbach, Jochen; Pellegrini, Kristi L; McNamara, Bruce K; Schwantes, Jon M; Cahill, Christopher L
Source: Chemical Communication. Unidade: IQ
Subjects: NITRATOS, CLORO, PLUTÔNIO
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ABNT
SURBELLA, Robert G et al. Plutonium chlorido nitrato complexes: ligand competition and computational metrics for assembly and bonding. Chemical Communication, v. 54, n. 85, p. 12014-12017, 2018Tradução . . Disponível em: https://doi.org/10.1039/c8cc05578e. Acesso em: 23 maio 2024.
APA
Surbella, R. G., Ducati, L. C., Autschbach, J., Pellegrini, K. L., McNamara, B. K., Schwantes, J. M., & Cahill, C. L. (2018). Plutonium chlorido nitrato complexes: ligand competition and computational metrics for assembly and bonding. Chemical Communication, 54( 85), 12014-12017. doi:10.1039/c8cc05578e
NLM
Surbella RG, Ducati LC, Autschbach J, Pellegrini KL, McNamara BK, Schwantes JM, Cahill CL. Plutonium chlorido nitrato complexes: ligand competition and computational metrics for assembly and bonding [Internet]. Chemical Communication. 2018 ; 54( 85): 12014-12017.[citado 2024 maio 23 ] Available from: https://doi.org/10.1039/c8cc05578e
Vancouver
Surbella RG, Ducati LC, Autschbach J, Pellegrini KL, McNamara BK, Schwantes JM, Cahill CL. Plutonium chlorido nitrato complexes: ligand competition and computational metrics for assembly and bonding [Internet]. Chemical Communication. 2018 ; 54( 85): 12014-12017.[citado 2024 maio 23 ] Available from: https://doi.org/10.1039/c8cc05578e
Artigo de periodico
Transuranic hybrid materials: crystallographic and computational metrics of supramolecular assembly (2017)
Surbella, Robert G; Ducati, Lucas Colucci ; Pellegrini, Kristi L; McNamara, Bruce K; Autschbach, Jochen; Schwantes, Jon M; Cahill, Christopher L
Source: Journal of the American Chemical Society. Unidade: IQ
Subjects: CRISTALOGRAFIA, HIDROGÊNIO, HALOGÊNIOS
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ABNT
SURBELLA, Robert G et al. Transuranic hybrid materials: crystallographic and computational metrics of supramolecular assembly. Journal of the American Chemical Society, v. 139, n. 31, p. 10843-10855, 2017Tradução . . Disponível em: https://doi.org/10.1021/jacs.7b05689. Acesso em: 23 maio 2024.
APA
Surbella, R. G., Ducati, L. C., Pellegrini, K. L., McNamara, B. K., Autschbach, J., Schwantes, J. M., & Cahill, C. L. (2017). Transuranic hybrid materials: crystallographic and computational metrics of supramolecular assembly. Journal of the American Chemical Society, 139( 31), 10843-10855. doi:10.1021/jacs.7b05689
NLM
Surbella RG, Ducati LC, Pellegrini KL, McNamara BK, Autschbach J, Schwantes JM, Cahill CL. Transuranic hybrid materials: crystallographic and computational metrics of supramolecular assembly [Internet]. Journal of the American Chemical Society. 2017 ; 139( 31): 10843-10855.[citado 2024 maio 23 ] Available from: https://doi.org/10.1021/jacs.7b05689
Vancouver
Surbella RG, Ducati LC, Pellegrini KL, McNamara BK, Autschbach J, Schwantes JM, Cahill CL. Transuranic hybrid materials: crystallographic and computational metrics of supramolecular assembly [Internet]. Journal of the American Chemical Society. 2017 ; 139( 31): 10843-10855.[citado 2024 maio 23 ] Available from: https://doi.org/10.1021/jacs.7b05689
Artigo de periodico
A new Pu(III) coordination geometry in ('C IND. 5''H IND. 5'NBr)'IND. 2'['PuCl IND. 3'('H IND. 2'O)'IND. 5']·2Cl·'2H IND. 2'O as obtained via supramolecular assembly in aqueous, high chloride media (2017)
Surbella, Robert G; Ducati, Lucas Colucci ; Pellegrini, Kristi L; McNamara, Bruce K; Autschbach, Jochen; Schwantes, Jon M; Cahill, Christopher L
Source: Chemical Communications. Unidade: IQ
Subjects: DIFRAÇÃO POR RAIOS X, QUÍMICA DE COORDENAÇÃO
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ABNT
SURBELLA, Robert G et al. A new Pu(III) coordination geometry in ('C IND. 5''H IND. 5'NBr)'IND. 2'['PuCl IND. 3'('H IND. 2'O)'IND. 5']·2Cl·'2H IND. 2'O as obtained via supramolecular assembly in aqueous, high chloride media. Chemical Communications, v. 53, n. 78, p. 10816-10819, 2017Tradução . . Disponível em: https://doi.org/10.1039/C7CC05988D. Acesso em: 23 maio 2024.
APA
Surbella, R. G., Ducati, L. C., Pellegrini, K. L., McNamara, B. K., Autschbach, J., Schwantes, J. M., & Cahill, C. L. (2017). A new Pu(III) coordination geometry in ('C IND. 5''H IND. 5'NBr)'IND. 2'['PuCl IND. 3'('H IND. 2'O)'IND. 5']·2Cl·'2H IND. 2'O as obtained via supramolecular assembly in aqueous, high chloride media. Chemical Communications, 53( 78), 10816-10819. doi:10.1039/C7CC05988D
NLM
Surbella RG, Ducati LC, Pellegrini KL, McNamara BK, Autschbach J, Schwantes JM, Cahill CL. A new Pu(III) coordination geometry in ('C IND. 5''H IND. 5'NBr)'IND. 2'['PuCl IND. 3'('H IND. 2'O)'IND. 5']·2Cl·'2H IND. 2'O as obtained via supramolecular assembly in aqueous, high chloride media [Internet]. Chemical Communications. 2017 ; 53( 78): 10816-10819.[citado 2024 maio 23 ] Available from: https://doi.org/10.1039/C7CC05988D
Vancouver
Surbella RG, Ducati LC, Pellegrini KL, McNamara BK, Autschbach J, Schwantes JM, Cahill CL. A new Pu(III) coordination geometry in ('C IND. 5''H IND. 5'NBr)'IND. 2'['PuCl IND. 3'('H IND. 2'O)'IND. 5']·2Cl·'2H IND. 2'O as obtained via supramolecular assembly in aqueous, high chloride media [Internet]. Chemical Communications. 2017 ; 53( 78): 10816-10819.[citado 2024 maio 23 ] Available from: https://doi.org/10.1039/C7CC05988D
Artigo de periodico
Engaging the terminal: promoting halogen bonding interactions with uranyl oxo atoms (2017)
Carter, Korey p; Kalaj, Mark; Surbella, Robert G; Ducati, Lucas Colucci ; Autschbach, Jochen; Cahill, Christopher L
Source: Chemistry a European Journal. Unidade: IQ
Subjects: HALOGÊNIOS, ÁTOMOS
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ABNT
CARTER, Korey p et al. Engaging the terminal: promoting halogen bonding interactions with uranyl oxo atoms. Chemistry a European Journal, v. 23, n. 61, p. 15355-15369, 2017Tradução . . Disponível em: https://doi.org/10.1002/chem.201702744. Acesso em: 23 maio 2024.
APA
Carter, K. p, Kalaj, M., Surbella, R. G., Ducati, L. C., Autschbach, J., & Cahill, C. L. (2017). Engaging the terminal: promoting halogen bonding interactions with uranyl oxo atoms. Chemistry a European Journal, 23( 61), 15355-15369. doi:10.1002/chem.201702744
NLM
Carter K p, Kalaj M, Surbella RG, Ducati LC, Autschbach J, Cahill CL. Engaging the terminal: promoting halogen bonding interactions with uranyl oxo atoms [Internet]. Chemistry a European Journal. 2017 ; 23( 61): 15355-15369.[citado 2024 maio 23 ] Available from: https://doi.org/10.1002/chem.201702744
Vancouver
Carter K p, Kalaj M, Surbella RG, Ducati LC, Autschbach J, Cahill CL. Engaging the terminal: promoting halogen bonding interactions with uranyl oxo atoms [Internet]. Chemistry a European Journal. 2017 ; 23( 61): 15355-15369.[citado 2024 maio 23 ] Available from: https://doi.org/10.1002/chem.201702744
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: 23 maio 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 maio 23 ] 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 maio 23 ] Available from: https://doi.org/10.1039/c7sc02163a
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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 23 maio 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 maio 23 ] 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 maio 23 ] 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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 23 maio 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 maio 23 ] 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 maio 23 ] Available from: https://doi.org/10.1002/open.201600066
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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 23 maio 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 maio 23 ] 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 maio 23 ] Available from: https://doi.org/10.1021/acs.inorgchem.6b02180

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