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Artigo de periodico
Quantum-chemistry study of the Photophysical properties of 4-thiouracil and comparisons with 2-thiouracil (2024)
Miguel, Miriam Navarrete; Giussani, Angelo ; Rubio, Mercedes; Pasqua, Martial Boggio ; Borin, Antonio Carlos ; Sanjuan, Daniel Raca
Source: Journal of Physical Chemistry A. Unidade: IQ
Subjects: QUÍMICA QUÂNTICA, TERAPIA FOTODINÂMICA
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ABNT
MIGUEL, Miriam Navarrete et al. Quantum-chemistry study of the Photophysical properties of 4-thiouracil and comparisons with 2-thiouracil. Journal of Physical Chemistry A, v. 128, n. 12, p. 2273–2285, 2024Tradução . . Disponível em: dx.doi.org/10.1021/acs.jpca.3c06310. Acesso em: 10 nov. 2024.
APA
Miguel, M. N., Giussani, A., Rubio, M., Pasqua, M. B., Borin, A. C., & Sanjuan, D. R. (2024). Quantum-chemistry study of the Photophysical properties of 4-thiouracil and comparisons with 2-thiouracil. Journal of Physical Chemistry A, 128( 12), 2273–2285. doi:10.1021/acs.jpca.3c06310
NLM
Miguel MN, Giussani A, Rubio M, Pasqua MB, Borin AC, Sanjuan DR. Quantum-chemistry study of the Photophysical properties of 4-thiouracil and comparisons with 2-thiouracil [Internet]. Journal of Physical Chemistry A. 2024 ; 128( 12): 2273–2285.[citado 2024 nov. 10 ] Available from: dx.doi.org/10.1021/acs.jpca.3c06310
Vancouver
Miguel MN, Giussani A, Rubio M, Pasqua MB, Borin AC, Sanjuan DR. Quantum-chemistry study of the Photophysical properties of 4-thiouracil and comparisons with 2-thiouracil [Internet]. Journal of Physical Chemistry A. 2024 ; 128( 12): 2273–2285.[citado 2024 nov. 10 ] Available from: dx.doi.org/10.1021/acs.jpca.3c06310
Artigo de periodico
Water solvated Zn(II)-guanine complex: structural aspects and luminescence properties (2023)
Araújo, Adalberto Vasconcelos Sanches de ; Borin, Antonio Carlos
Source: Journal of Physical Chemistry A. Unidade: IQ
Subjects: LUMINESCÊNCIA, ÍONS, MOLÉCULA
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ABNT
ARAÚJO, Adalberto Vasconcelos Sanches de e BORIN, Antonio Carlos. Water solvated Zn(II)-guanine complex: structural aspects and luminescence properties. Journal of Physical Chemistry A, v. 127, n. 40, p. 8297-8306, 2023Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.3c04132. Acesso em: 10 nov. 2024.
APA
Araújo, A. V. S. de, & Borin, A. C. (2023). Water solvated Zn(II)-guanine complex: structural aspects and luminescence properties. Journal of Physical Chemistry A, 127( 40), 8297-8306. doi:10.1021/acs.jpca.3c04132
NLM
Araújo AVS de, Borin AC. Water solvated Zn(II)-guanine complex: structural aspects and luminescence properties [Internet]. Journal of Physical Chemistry A. 2023 ; 127( 40): 8297-8306.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.3c04132
Vancouver
Araújo AVS de, Borin AC. Water solvated Zn(II)-guanine complex: structural aspects and luminescence properties [Internet]. Journal of Physical Chemistry A. 2023 ; 127( 40): 8297-8306.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.3c04132
Artigo de periodico
Multiconfigurational calculations and experimental resonant Raman/SERRS of a donor–acceptor Thiadiazole Dye (2023)
Araújo, Adalberto Vasconcelos Sanches de ; Rangel, Clara de Jesus ; Ando, Rômulo Augusto
Source: Journal of Physical Chemistry A. Unidade: IQ
Subjects: NANOPARTÍCULAS, ESPECTROSCOPIA RAMAN
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ABNT
ARAÚJO, Adalberto Vasconcelos Sanches de e RANGEL, Clara de Jesus e ANDO, Rômulo Augusto. Multiconfigurational calculations and experimental resonant Raman/SERRS of a donor–acceptor Thiadiazole Dye. Journal of Physical Chemistry A, v. 127, n. 51, p. 10789–10796, 2023Tradução . . Disponível em: https://dx.doi.org/10.1021/acs.jpca.3c04798. Acesso em: 10 nov. 2024.
APA
Araújo, A. V. S. de, Rangel, C. de J., & Ando, R. A. (2023). Multiconfigurational calculations and experimental resonant Raman/SERRS of a donor–acceptor Thiadiazole Dye. Journal of Physical Chemistry A, 127( 51), 10789–10796. doi:10.1021/acs.jpca.3c04798
NLM
Araújo AVS de, Rangel C de J, Ando RA. Multiconfigurational calculations and experimental resonant Raman/SERRS of a donor–acceptor Thiadiazole Dye [Internet]. Journal of Physical Chemistry A. 2023 ; 127( 51): 10789–10796.[citado 2024 nov. 10 ] Available from: https://dx.doi.org/10.1021/acs.jpca.3c04798
Vancouver
Araújo AVS de, Rangel C de J, Ando RA. Multiconfigurational calculations and experimental resonant Raman/SERRS of a donor–acceptor Thiadiazole Dye [Internet]. Journal of Physical Chemistry A. 2023 ; 127( 51): 10789–10796.[citado 2024 nov. 10 ] Available from: https://dx.doi.org/10.1021/acs.jpca.3c04798
Artigo de periodico
Protonated and Sodiated cyclophosphamide fragmentation pathways evaluation by infrared multiple photon dissociation spectroscopy (2023)
Fernandes, André Santos ; Obeid, Guilherme ; Laureno, Tiago J. N; Correra, Thiago Carita
Source: Journal of Physical Chemistry A. Unidade: IQ
Subjects: INFRAVERMELHO, ESPECTROSCOPIA
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ABNT
FERNANDES, André Santos et al. Protonated and Sodiated cyclophosphamide fragmentation pathways evaluation by infrared multiple photon dissociation spectroscopy. Journal of Physical Chemistry A, v. 127, p. 5152−5161, 2023Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.3c01323. Acesso em: 10 nov. 2024.
APA
Fernandes, A. S., Obeid, G., Laureno, T. J. N., & Correra, T. C. (2023). Protonated and Sodiated cyclophosphamide fragmentation pathways evaluation by infrared multiple photon dissociation spectroscopy. Journal of Physical Chemistry A, 127, 5152−5161. doi:10.1021/acs.jpca.3c01323
NLM
Fernandes AS, Obeid G, Laureno TJN, Correra TC. Protonated and Sodiated cyclophosphamide fragmentation pathways evaluation by infrared multiple photon dissociation spectroscopy [Internet]. Journal of Physical Chemistry A. 2023 ; 127 5152−5161.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.3c01323
Vancouver
Fernandes AS, Obeid G, Laureno TJN, Correra TC. Protonated and Sodiated cyclophosphamide fragmentation pathways evaluation by infrared multiple photon dissociation spectroscopy [Internet]. Journal of Physical Chemistry A. 2023 ; 127 5152−5161.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.3c01323
Artigo de periodico
Solvation Structures and Deactivation Pathways of Luminescent Isothiazole-Derived Nucleobases: tzA, tzG, and tzI (2020)
Araújo, Adalberto Vasconcelos Sanches de; Valverde, Danillo ; Canuto, Sylvio Roberto Accioly ; Borin, Antonio Carlos
Source: Journal of Physical Chemistry A. Unidades: IF, IQ
Assunto: SOLVATAÇÃO
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ABNT
ARAÚJO, Adalberto Vasconcelos Sanches de et al. Solvation Structures and Deactivation Pathways of Luminescent Isothiazole-Derived Nucleobases: tzA, tzG, and tzI. Journal of Physical Chemistry A, v. 124, n. 34, p. 6834−6844, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.0c03398. Acesso em: 10 nov. 2024.
APA
Araújo, A. V. S. de, Valverde, D., Canuto, S. R. A., & Borin, A. C. (2020). Solvation Structures and Deactivation Pathways of Luminescent Isothiazole-Derived Nucleobases: tzA, tzG, and tzI. Journal of Physical Chemistry A, 124( 34), 6834−6844. doi:10.1021/acs.jpca.0c03398
NLM
Araújo AVS de, Valverde D, Canuto SRA, Borin AC. Solvation Structures and Deactivation Pathways of Luminescent Isothiazole-Derived Nucleobases: tzA, tzG, and tzI [Internet]. Journal of Physical Chemistry A. 2020 ; 124( 34): 6834−6844.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.0c03398
Vancouver
Araújo AVS de, Valverde D, Canuto SRA, Borin AC. Solvation Structures and Deactivation Pathways of Luminescent Isothiazole-Derived Nucleobases: tzA, tzG, and tzI [Internet]. Journal of Physical Chemistry A. 2020 ; 124( 34): 6834−6844.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.0c03398
Artigo de periodico
Evaluation of the katsuki-sharpless epoxidation precatalysts by ESI-FTMS, CID, and IRMPD spectroscopy (2019)
Fernandes, André Santos; Maitre, Philippe; Correra, Thiago Carita
Source: Journal of Physical Chemistry A. Unidade: IQ
Subjects: FÍSICO-QUÍMICA, ESPECTROSCOPIA
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ABNT
FERNANDES, André Santos e MAITRE, Philippe e CORRERA, Thiago Carita. Evaluation of the katsuki-sharpless epoxidation precatalysts by ESI-FTMS, CID, and IRMPD spectroscopy. Journal of Physical Chemistry A, v. 123, n. 5, p. 1022-1029, 2019Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.8b09979. Acesso em: 10 nov. 2024.
APA
Fernandes, A. S., Maitre, P., & Correra, T. C. (2019). Evaluation of the katsuki-sharpless epoxidation precatalysts by ESI-FTMS, CID, and IRMPD spectroscopy. Journal of Physical Chemistry A, 123( 5), 1022-1029. doi:10.1021/acs.jpca.8b09979
NLM
Fernandes AS, Maitre P, Correra TC. Evaluation of the katsuki-sharpless epoxidation precatalysts by ESI-FTMS, CID, and IRMPD spectroscopy [Internet]. Journal of Physical Chemistry A. 2019 ; 123( 5): 1022-1029.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.8b09979
Vancouver
Fernandes AS, Maitre P, Correra TC. Evaluation of the katsuki-sharpless epoxidation precatalysts by ESI-FTMS, CID, and IRMPD spectroscopy [Internet]. Journal of Physical Chemistry A. 2019 ; 123( 5): 1022-1029.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.8b09979
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
Source: Journal of Physical Chemistry A. Unidade: IQ
Subjects: 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: 10 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. 10 ] 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. 10 ] Available from: https://doi.org/10.1021/acs.jpca.9b05619
Artigo de periodico
Photoreversible molecular motion of stpyCN coordinated to fac-[RE'(CO) IND. 3'(NN)]+ complexes (2018)
Amaral, Ronaldo C; Matos, Lais S; Zanoni, Kassio P. S; Iha, Neyde Yukie Murakami
Source: Journal of Physical Chemistry A. Unidade: IQ
Subjects: RÊNIO, RESSONÂNCIA MAGNÉTICA NUCLEAR
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ABNT
AMARAL, Ronaldo C et al. Photoreversible molecular motion of stpyCN coordinated to fac-[RE'(CO) IND. 3'(NN)]+ complexes. Journal of Physical Chemistry A, v. 122, p. 6071-6080, 2018Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.8b02630. Acesso em: 10 nov. 2024.
APA
Amaral, R. C., Matos, L. S., Zanoni, K. P. S., & Iha, N. Y. M. (2018). Photoreversible molecular motion of stpyCN coordinated to fac-[RE'(CO) IND. 3'(NN)]+ complexes. Journal of Physical Chemistry A, 122, 6071-6080. doi:10.1021/acs.jpca.8b02630
NLM
Amaral RC, Matos LS, Zanoni KPS, Iha NYM. Photoreversible molecular motion of stpyCN coordinated to fac-[RE'(CO) IND. 3'(NN)]+ complexes [Internet]. Journal of Physical Chemistry A. 2018 ; 122 6071-6080.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.8b02630
Vancouver
Amaral RC, Matos LS, Zanoni KPS, Iha NYM. Photoreversible molecular motion of stpyCN coordinated to fac-[RE'(CO) IND. 3'(NN)]+ complexes [Internet]. Journal of Physical Chemistry A. 2018 ; 122 6071-6080.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.8b02630
Artigo de periodico
Unimolecular decomposition mechanism of 1,2-Dioxetanedione: concerted or Biradical? that is the question! (2017)
Farahani, Pooria; Baader, Wilhelm Josef
Source: Journal of Physical Chemistry A. Unidade: IQ
Subjects: QUÍMICA ORGÂNICA, FOTOQUÍMICA ORGÂNICA
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ABNT
FARAHANI, Pooria e BAADER, Wilhelm Josef. Unimolecular decomposition mechanism of 1,2-Dioxetanedione: concerted or Biradical? that is the question!. Journal of Physical Chemistry A, v. 121, p. 1189-1194, 2017Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.6b10365. Acesso em: 10 nov. 2024.
APA
Farahani, P., & Baader, W. J. (2017). Unimolecular decomposition mechanism of 1,2-Dioxetanedione: concerted or Biradical? that is the question!. Journal of Physical Chemistry A, 121, 1189-1194. doi:10.1021/acs.jpca.6b10365
NLM
Farahani P, Baader WJ. Unimolecular decomposition mechanism of 1,2-Dioxetanedione: concerted or Biradical? that is the question! [Internet]. Journal of Physical Chemistry A. 2017 ; 121 1189-1194.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.6b10365
Vancouver
Farahani P, Baader WJ. Unimolecular decomposition mechanism of 1,2-Dioxetanedione: concerted or Biradical? that is the question! [Internet]. Journal of Physical Chemistry A. 2017 ; 121 1189-1194.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.6b10365
Artigo de periodico
Dynamic/thermochemical balance drives unusual Alkyl/F exchange reactions in siloxides and analogs (2016)
Correra, Thiago Carita ; Fernandes, André Santos; Riveros, José Manuel
Source: Journal of Physical Chemistry A. Unidade: IQ
Subjects: TERMOQUÍMICA, FÍSICO-QUÍMICA
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ABNT
CORRERA, Thiago Carita e FERNANDES, André Santos e RIVEROS, José Manuel. Dynamic/thermochemical balance drives unusual Alkyl/F exchange reactions in siloxides and analogs. Journal of Physical Chemistry A, v. 120, n. 10, p. 1644–1651, 2016Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.6b00390. Acesso em: 10 nov. 2024.
APA
Correra, T. C., Fernandes, A. S., & Riveros, J. M. (2016). Dynamic/thermochemical balance drives unusual Alkyl/F exchange reactions in siloxides and analogs. Journal of Physical Chemistry A, 120( 10), 1644–1651. doi:10.1021/acs.jpca.6b00390
NLM
Correra TC, Fernandes AS, Riveros JM. Dynamic/thermochemical balance drives unusual Alkyl/F exchange reactions in siloxides and analogs [Internet]. Journal of Physical Chemistry A. 2016 ; 120( 10): 1644–1651.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.6b00390
Vancouver
Correra TC, Fernandes AS, Riveros JM. Dynamic/thermochemical balance drives unusual Alkyl/F exchange reactions in siloxides and analogs [Internet]. Journal of Physical Chemistry A. 2016 ; 120( 10): 1644–1651.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.6b00390
Artigo de periodico
Ferric-Thiolate bond dissociation studied with electronic structure calculations (2015)
Arantes, Guilherme Menegon ; Field, Martin J
Source: Journal of Physical Chemistry A. Unidade: IQ
Subjects: ESTRUTURA ELETRÔNICA, BIOQUÍMICA
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ABNT
ARANTES, Guilherme Menegon e FIELD, Martin J. Ferric-Thiolate bond dissociation studied with electronic structure calculations. Journal of Physical Chemistry A, v. 19, n. 39, p. 10084-10090, 2015Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.5b05658. Acesso em: 10 nov. 2024.
APA
Arantes, G. M., & Field, M. J. (2015). Ferric-Thiolate bond dissociation studied with electronic structure calculations. Journal of Physical Chemistry A, 19( 39), 10084-10090. doi:10.1021/acs.jpca.5b05658
NLM
Arantes GM, Field MJ. Ferric-Thiolate bond dissociation studied with electronic structure calculations [Internet]. Journal of Physical Chemistry A. 2015 ; 19( 39): 10084-10090.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.5b05658
Vancouver
Arantes GM, Field MJ. Ferric-Thiolate bond dissociation studied with electronic structure calculations [Internet]. Journal of Physical Chemistry A. 2015 ; 19( 39): 10084-10090.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.5b05658
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: 10 nov. 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 nov. 10 ] 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 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.5b01531
Artigo de periodico
Molecular structures of isomeric ortho, meta, and para bromo-substituted α-methylsulfonyl-α-diethoxyphosphoryl acetophenones by X-ray and DFT molecular orbital calculations (2015)
Rodrigues, Alessandro; Olivato, Paulo Roberto ; Zukerman-Schpector, Júlio; Maganhi, Stella Hernandez; Reis, Adriana Karla Cardoso Amorim; Tiekink, Edward R. T
Source: Journal of Physical Chemistry A. Unidade: IQ
Subjects: RAIOS X, ANTIVIRAIS
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ABNT
RODRIGUES, Alessandro et al. Molecular structures of isomeric ortho, meta, and para bromo-substituted α-methylsulfonyl-α-diethoxyphosphoryl acetophenones by X-ray and DFT molecular orbital calculations. Journal of Physical Chemistry A, v. 119, n. 32, p. 8714-8723, 2015Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.5b04019. Acesso em: 10 nov. 2024.
APA
Rodrigues, A., Olivato, P. R., Zukerman-Schpector, J., Maganhi, S. H., Reis, A. K. C. A., & Tiekink, E. R. T. (2015). Molecular structures of isomeric ortho, meta, and para bromo-substituted α-methylsulfonyl-α-diethoxyphosphoryl acetophenones by X-ray and DFT molecular orbital calculations. Journal of Physical Chemistry A, 119( 32), 8714-8723. doi:10.1021/acs.jpca.5b04019
NLM
Rodrigues A, Olivato PR, Zukerman-Schpector J, Maganhi SH, Reis AKCA, Tiekink ERT. Molecular structures of isomeric ortho, meta, and para bromo-substituted α-methylsulfonyl-α-diethoxyphosphoryl acetophenones by X-ray and DFT molecular orbital calculations [Internet]. Journal of Physical Chemistry A. 2015 ; 119( 32): 8714-8723.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.5b04019
Vancouver
Rodrigues A, Olivato PR, Zukerman-Schpector J, Maganhi SH, Reis AKCA, Tiekink ERT. Molecular structures of isomeric ortho, meta, and para bromo-substituted α-methylsulfonyl-α-diethoxyphosphoryl acetophenones by X-ray and DFT molecular orbital calculations [Internet]. Journal of Physical Chemistry A. 2015 ; 119( 32): 8714-8723.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.5b04019
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
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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: 10 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. 10 ] 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. 10 ] Available from: https://doi.org/10.1021/jp5007632
Artigo de periodico
Energy disposal and thermal rate constants for the OH + HBr and OH + DBr reactions: quasiclassical trajectory calculations on an accurate potential energy surface (2014)
Oliveira Filho, Antonio Gustavo Sampaio de; Ornellas, Fernando Rei ; Bowman, Joel M
Source: Journal of Physical Chemistry A. Unidade: IQ
Subjects: TERMODINÂMICA QUÍMICA, FÍSICO-QUÍMICA
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ABNT
OLIVEIRA FILHO, Antonio Gustavo Sampaio de e ORNELLAS, Fernando Rei e BOWMAN, Joel M. Energy disposal and thermal rate constants for the OH + HBr and OH + DBr reactions: quasiclassical trajectory calculations on an accurate potential energy surface. Journal of Physical Chemistry A, v. 118, n. 51, p. 12080-12088, 2014Tradução . . Disponível em: https://doi.org/10.1021/jp509430p. Acesso em: 10 nov. 2024.
APA
Oliveira Filho, A. G. S. de, Ornellas, F. R., & Bowman, J. M. (2014). Energy disposal and thermal rate constants for the OH + HBr and OH + DBr reactions: quasiclassical trajectory calculations on an accurate potential energy surface. Journal of Physical Chemistry A, 118( 51), 12080-12088. doi:10.1021/jp509430p
NLM
Oliveira Filho AGS de, Ornellas FR, Bowman JM. Energy disposal and thermal rate constants for the OH + HBr and OH + DBr reactions: quasiclassical trajectory calculations on an accurate potential energy surface [Internet]. Journal of Physical Chemistry A. 2014 ; 118( 51): 12080-12088.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/jp509430p
Vancouver
Oliveira Filho AGS de, Ornellas FR, Bowman JM. Energy disposal and thermal rate constants for the OH + HBr and OH + DBr reactions: quasiclassical trajectory calculations on an accurate potential energy surface [Internet]. Journal of Physical Chemistry A. 2014 ; 118( 51): 12080-12088.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/jp509430p
Artigo de periodico
Revisiting NMR through-space 'J IND. FF' spin-spin coupling constants for getting insight into proximate F---F interactions (2014)
Contreras, Rubén H; Llorente, Tomás; Ducati, Lucas Colucci ; Tormena, Cláudio Francisco
Source: Journal of Physical Chemistry A. Unidade: IQ
Subjects: RESSONÂNCIA MAGNÉTICA NUCLEAR, CONSTANTES QUÍMICAS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
CONTRERAS, Rubén H et al. Revisiting NMR through-space 'J IND. FF' spin-spin coupling constants for getting insight into proximate F---F interactions. Journal of Physical Chemistry A, v. 118, n. 27, p. 5068-5075, 2014Tradução . . Disponível em: https://doi.org/10.1021/jp501929t. Acesso em: 10 nov. 2024.
APA
Contreras, R. H., Llorente, T., Ducati, L. C., & Tormena, C. F. (2014). Revisiting NMR through-space 'J IND. FF' spin-spin coupling constants for getting insight into proximate F---F interactions. Journal of Physical Chemistry A, 118( 27), 5068-5075. doi:10.1021/jp501929t
NLM
Contreras RH, Llorente T, Ducati LC, Tormena CF. Revisiting NMR through-space 'J IND. FF' spin-spin coupling constants for getting insight into proximate F---F interactions [Internet]. Journal of Physical Chemistry A. 2014 ; 118( 27): 5068-5075.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/jp501929t
Vancouver
Contreras RH, Llorente T, Ducati LC, Tormena CF. Revisiting NMR through-space 'J IND. FF' spin-spin coupling constants for getting insight into proximate F---F interactions [Internet]. Journal of Physical Chemistry A. 2014 ; 118( 27): 5068-5075.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/jp501929t
Artigo de periodico
On the population of triplet excited states of 6-aza-2-thiothymine (2013)
Gobbo, João Paulo; Borin, Antonio Carlos
Source: Journal of Physical Chemistry A. Unidade: IQ
Subjects: FÍSICO-QUÍMICA, FOTOQUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
GOBBO, João Paulo e BORIN, Antonio Carlos. On the population of triplet excited states of 6-aza-2-thiothymine. Journal of Physical Chemistry A, v. 117, n. 27, p. 5589-5596, 2013Tradução . . Disponível em: https://doi.org/10.1021/jp403508v. Acesso em: 10 nov. 2024.
APA
Gobbo, J. P., & Borin, A. C. (2013). On the population of triplet excited states of 6-aza-2-thiothymine. Journal of Physical Chemistry A, 117( 27), 5589-5596. doi:10.1021/jp403508v
NLM
Gobbo JP, Borin AC. On the population of triplet excited states of 6-aza-2-thiothymine [Internet]. Journal of Physical Chemistry A. 2013 ; 117( 27): 5589-5596.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/jp403508v
Vancouver
Gobbo JP, Borin AC. On the population of triplet excited states of 6-aza-2-thiothymine [Internet]. Journal of Physical Chemistry A. 2013 ; 117( 27): 5589-5596.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/jp403508v
Artigo de periodico
Thermal rate constants for the O('ANTPOT. 3 P') + 'H''BR' and O('ANTPOT. 3 P') + 'D''BR' reactions: transition-state theory and quantum mechanical calculations (2013)
Oliveira Filho, Antonio Gustavo Sampaio de; Ornellas, Fernando Rei ; Peterson, Kirk A; Mielke, Steven L
Source: Journal of Physical Chemistry A. Unidade: IQ
Assunto: FÍSICO-QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
OLIVEIRA FILHO, Antonio Gustavo Sampaio de et al. Thermal rate constants for the O('ANTPOT. 3 P') + 'H''BR' and O('ANTPOT. 3 P') + 'D''BR' reactions: transition-state theory and quantum mechanical calculations. Journal of Physical Chemistry A, v. 117, n. 48, p. 12703-12710, 2013Tradução . . Disponível em: https://doi.org/10.1021/jp4090684. Acesso em: 10 nov. 2024.
APA
Oliveira Filho, A. G. S. de, Ornellas, F. R., Peterson, K. A., & Mielke, S. L. (2013). Thermal rate constants for the O('ANTPOT. 3 P') + 'H''BR' and O('ANTPOT. 3 P') + 'D''BR' reactions: transition-state theory and quantum mechanical calculations. Journal of Physical Chemistry A, 117( 48), 12703-12710. doi:10.1021/jp4090684
NLM
Oliveira Filho AGS de, Ornellas FR, Peterson KA, Mielke SL. Thermal rate constants for the O('ANTPOT. 3 P') + 'H''BR' and O('ANTPOT. 3 P') + 'D''BR' reactions: transition-state theory and quantum mechanical calculations [Internet]. Journal of Physical Chemistry A. 2013 ; 117( 48): 12703-12710.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/jp4090684
Vancouver
Oliveira Filho AGS de, Ornellas FR, Peterson KA, Mielke SL. Thermal rate constants for the O('ANTPOT. 3 P') + 'H''BR' and O('ANTPOT. 3 P') + 'D''BR' reactions: transition-state theory and quantum mechanical calculations [Internet]. Journal of Physical Chemistry A. 2013 ; 117( 48): 12703-12710.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/jp4090684
Artigo de periodico
Picosecond dynamics of proton transfer of a 7-hydroxyflavylium salt in aqueous-organic solvent mixtures (2011)
Freitas, Adilson Alves de; Quina, Frank Herbert ; Maçanita, António A. L
Source: Journal of Physical Chemistry A. Unidade: IQ
Subjects: SOLVENTE, FÍSICO-QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
FREITAS, Adilson Alves de e QUINA, Frank Herbert e MAÇANITA, António A. L. Picosecond dynamics of proton transfer of a 7-hydroxyflavylium salt in aqueous-organic solvent mixtures. Journal of Physical Chemistry A, v. 115, n. 40, p. 10988-10995, 2011Tradução . . Disponível em: https://doi.org/10.1021/jp2069754. Acesso em: 10 nov. 2024.
APA
Freitas, A. A. de, Quina, F. H., & Maçanita, A. A. L. (2011). Picosecond dynamics of proton transfer of a 7-hydroxyflavylium salt in aqueous-organic solvent mixtures. Journal of Physical Chemistry A, 115( 40), 10988-10995. doi:10.1021/jp2069754
NLM
Freitas AA de, Quina FH, Maçanita AAL. Picosecond dynamics of proton transfer of a 7-hydroxyflavylium salt in aqueous-organic solvent mixtures [Internet]. Journal of Physical Chemistry A. 2011 ; 115( 40): 10988-10995.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/jp2069754
Vancouver
Freitas AA de, Quina FH, Maçanita AAL. Picosecond dynamics of proton transfer of a 7-hydroxyflavylium salt in aqueous-organic solvent mixtures [Internet]. Journal of Physical Chemistry A. 2011 ; 115( 40): 10988-10995.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/jp2069754
Artigo de periodico
Excited-state dynamics in fac-'[RE'('C''O') IND. 3' ('ME IND. 4' phen)(L)] POT. +' (2010)
Patrocínio, Antônio Otávio de Toledo; Brennaman, M. Kyle; Meyer, Thomas J; Iha, Neyde Yukie Murakami
Source: Journal of Physical Chemistry A. Unidade: IQ
Assunto: FOTOQUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
PATROCÍNIO, Antônio Otávio de Toledo et al. Excited-state dynamics in fac-'[RE'('C''O') IND. 3' ('ME IND. 4' phen)(L)] POT. +'. Journal of Physical Chemistry A, v. 114, n. 46, p. 12129-12137, 2010Tradução . . Disponível em: https://doi.org/10.1021/jp104692w. Acesso em: 10 nov. 2024.
APA
Patrocínio, A. O. de T., Brennaman, M. K., Meyer, T. J., & Iha, N. Y. M. (2010). Excited-state dynamics in fac-'[RE'('C''O') IND. 3' ('ME IND. 4' phen)(L)] POT. +'. Journal of Physical Chemistry A, 114( 46), 12129-12137. doi:10.1021/jp104692w
NLM
Patrocínio AO de T, Brennaman MK, Meyer TJ, Iha NYM. Excited-state dynamics in fac-'[RE'('C''O') IND. 3' ('ME IND. 4' phen)(L)] POT. +' [Internet]. Journal of Physical Chemistry A. 2010 ; 114( 46): 12129-12137.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/jp104692w
Vancouver
Patrocínio AO de T, Brennaman MK, Meyer TJ, Iha NYM. Excited-state dynamics in fac-'[RE'('C''O') IND. 3' ('ME IND. 4' phen)(L)] POT. +' [Internet]. Journal of Physical Chemistry A. 2010 ; 114( 46): 12129-12137.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/jp104692w

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