ReP USP - Resultado da busca

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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 19 jun. 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 jun. 19 ] 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 jun. 19 ] Available from: https://doi.org/10.1039/d2cp05877d
Artigo de periodico
DFT and ab initio molecular dynamics simulation study of the infrared spectrum of the protic ionic liquid 2-hydroxyethylammonium formate (2023)
Paschoal, Vitor Hugo ; Ribeiro, Mauro Carlos Costa
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: LÍQUIDOS IÔNICOS, ESPECTROSCOPIA INFRAVERMELHA, QUÍMICA QUÂNTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
PASCHOAL, Vitor Hugo e RIBEIRO, Mauro Carlos Costa. DFT and ab initio molecular dynamics simulation study of the infrared spectrum of the protic ionic liquid 2-hydroxyethylammonium formate. Physical Chemistry Chemical Physics, v. 25, n. 39, p. 26475-26485, 2023Tradução . . Disponível em: https://dx.doi.org/10.1039/D3CP02914J. Acesso em: 19 jun. 2024.
APA
Paschoal, V. H., & Ribeiro, M. C. C. (2023). DFT and ab initio molecular dynamics simulation study of the infrared spectrum of the protic ionic liquid 2-hydroxyethylammonium formate. Physical Chemistry Chemical Physics, 25( 39), 26475-26485. doi:10.1039/D3CP02914J
NLM
Paschoal VH, Ribeiro MCC. DFT and ab initio molecular dynamics simulation study of the infrared spectrum of the protic ionic liquid 2-hydroxyethylammonium formate [Internet]. Physical Chemistry Chemical Physics. 2023 ; 25( 39): 26475-26485.[citado 2024 jun. 19 ] Available from: https://dx.doi.org/10.1039/D3CP02914J
Vancouver
Paschoal VH, Ribeiro MCC. DFT and ab initio molecular dynamics simulation study of the infrared spectrum of the protic ionic liquid 2-hydroxyethylammonium formate [Internet]. Physical Chemistry Chemical Physics. 2023 ; 25( 39): 26475-26485.[citado 2024 jun. 19 ] Available from: https://dx.doi.org/10.1039/D3CP02914J
Artigo de periodico
Theoretical investigation of solvent and oxidation/deprotonation effects on the electronic structure of a mononuclear Ru-aqua-polypyridine complex in aqueous solution (2023)
Franco, Leandro ; Toledo, Kalil Cristhian Figueiredo ; Matias, Tiago Araujo; Araujo, Moyses ; Araki, Koiti ; Coutinho, Kaline
Source: Physical Chemistry Chemical Physics. Unidades: IF, IQ
Subjects: FÍSICO-QUÍMICA, FÍSICA MOLECULAR, MÉTODO DE MONTE CARLO, RUTÊNIO, MECÂNICA QUÂNTICA, SOLVENTE
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
FRANCO, Leandro et al. Theoretical investigation of solvent and oxidation/deprotonation effects on the electronic structure of a mononuclear Ru-aqua-polypyridine complex in aqueous solution. Physical Chemistry Chemical Physics, v. 25, p. 24475–24494, 2023Tradução . . Disponível em: https://doi.org/10.1039/D3CP02154H. Acesso em: 19 jun. 2024.
APA
Franco, L., Toledo, K. C. F., Matias, T. A., Araujo, M., Araki, K., & Coutinho, K. (2023). Theoretical investigation of solvent and oxidation/deprotonation effects on the electronic structure of a mononuclear Ru-aqua-polypyridine complex in aqueous solution. Physical Chemistry Chemical Physics, 25, 24475–24494. doi:10.1039/D3CP02154H
NLM
Franco L, Toledo KCF, Matias TA, Araujo M, Araki K, Coutinho K. Theoretical investigation of solvent and oxidation/deprotonation effects on the electronic structure of a mononuclear Ru-aqua-polypyridine complex in aqueous solution [Internet]. Physical Chemistry Chemical Physics. 2023 ; 25 24475–24494.[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/D3CP02154H
Vancouver
Franco L, Toledo KCF, Matias TA, Araujo M, Araki K, Coutinho K. Theoretical investigation of solvent and oxidation/deprotonation effects on the electronic structure of a mononuclear Ru-aqua-polypyridine complex in aqueous solution [Internet]. Physical Chemistry Chemical Physics. 2023 ; 25 24475–24494.[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/D3CP02154H
Artigo de periodico
Ionic liquids as potential electrolytes for sodium-ion batteries: an overview (2023)
Domingues, Leandro Souza ; Melo, Hercílio Gomes de ; Martins, Vitor Leite
Source: Physical Chemistry Chemical Physics. Unidades: EP, IQ
Subjects: LÍQUIDOS IÔNICOS, ELETRÓLITOS, SÓDIO, ÍONS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
DOMINGUES, Leandro Souza e MELO, Hercílio Gomes de e MARTINS, Vitor Leite. Ionic liquids as potential electrolytes for sodium-ion batteries: an overview. Physical Chemistry Chemical Physics, v. 25, p. 1-5, 2023Tradução . . Disponível em: https://dx.doi.org/10.1039/D3CP00238A. Acesso em: 19 jun. 2024.
APA
Domingues, L. S., Melo, H. G. de, & Martins, V. L. (2023). Ionic liquids as potential electrolytes for sodium-ion batteries: an overview. Physical Chemistry Chemical Physics, 25, 1-5. doi:10.1039/D3CP00238A
NLM
Domingues LS, Melo HG de, Martins VL. Ionic liquids as potential electrolytes for sodium-ion batteries: an overview [Internet]. Physical Chemistry Chemical Physics. 2023 ; 25 1-5.[citado 2024 jun. 19 ] Available from: https://dx.doi.org/10.1039/D3CP00238A
Vancouver
Domingues LS, Melo HG de, Martins VL. Ionic liquids as potential electrolytes for sodium-ion batteries: an overview [Internet]. Physical Chemistry Chemical Physics. 2023 ; 25 1-5.[citado 2024 jun. 19 ] Available from: https://dx.doi.org/10.1039/D3CP00238A
Artigo de periodico
A comprehensive benchmark investigation of quantum chemical methods for carbocations (2023)
Oliveira, Marcelo T. de ; Alves, Júlia M. A; Vrech, Natália Lussari ; Braga, Ataualpa Albert Carmo ; Barboza, Cristina A
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Assunto: QUÍMICA QUÂNTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
OLIVEIRA, Marcelo T. de et al. A comprehensive benchmark investigation of quantum chemical methods for carbocations. Physical Chemistry Chemical Physics, v. 25, n. 3, p. 1903–1922, 2023Tradução . . Disponível em: https://doi.org/10.1039/d2cp04603b. Acesso em: 19 jun. 2024.
APA
Oliveira, M. T. de, Alves, J. M. A., Vrech, N. L., Braga, A. A. C., & Barboza, C. A. (2023). A comprehensive benchmark investigation of quantum chemical methods for carbocations. Physical Chemistry Chemical Physics, 25( 3), 1903–1922. doi:10.1039/d2cp04603b
NLM
Oliveira MT de, Alves JMA, Vrech NL, Braga AAC, Barboza CA. A comprehensive benchmark investigation of quantum chemical methods for carbocations [Internet]. Physical Chemistry Chemical Physics. 2023 ; 25( 3): 1903–1922.[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/d2cp04603b
Vancouver
Oliveira MT de, Alves JMA, Vrech NL, Braga AAC, Barboza CA. A comprehensive benchmark investigation of quantum chemical methods for carbocations [Internet]. Physical Chemistry Chemical Physics. 2023 ; 25( 3): 1903–1922.[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/d2cp04603b
Artigo de periodico
Simulation of charge-transfer, UV-VIS and resonance Raman spectra of push–pull systems: a TDDFT and CASPT2 comparison (2022)
Araújo, Adalberto Vasconcelos Sanches de ; Marques, Leandro Ramos ; Borin, Antonio Carlos ; Ando, Rômulo Augusto
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: ESPECTROSCOPIA RAMAN, DINÂMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
ARAÚJO, Adalberto Vasconcelos Sanches de et al. Simulation of charge-transfer, UV-VIS and resonance Raman spectra of push–pull systems: a TDDFT and CASPT2 comparison. Physical Chemistry Chemical Physics, v. 24, n. 46, p. 28522-28529, 2022Tradução . . Disponível em: https://doi.org/10.1039/d2cp04401c. Acesso em: 19 jun. 2024.
APA
Araújo, A. V. S. de, Marques, L. R., Borin, A. C., & Ando, R. A. (2022). Simulation of charge-transfer, UV-VIS and resonance Raman spectra of push–pull systems: a TDDFT and CASPT2 comparison. Physical Chemistry Chemical Physics, 24( 46), 28522-28529. doi:10.1039/d2cp04401c
NLM
Araújo AVS de, Marques LR, Borin AC, Ando RA. Simulation of charge-transfer, UV-VIS and resonance Raman spectra of push–pull systems: a TDDFT and CASPT2 comparison [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24( 46): 28522-28529.[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/d2cp04401c
Vancouver
Araújo AVS de, Marques LR, Borin AC, Ando RA. Simulation of charge-transfer, UV-VIS and resonance Raman spectra of push–pull systems: a TDDFT and CASPT2 comparison [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24( 46): 28522-28529.[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/d2cp04401c
Artigo de periodico
Role of density and electrostatic interactions in the viscosity and non-newtonian behavior of ionic liquids – a molecular dynamics study (2022)
Bernardino, Kalil ; Ribeiro, Mauro Carlos Costa
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: LÍQUIDOS IÔNICOS, INTERAÇÃO QUÍMICA, FÍSICO-QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
BERNARDINO, Kalil e RIBEIRO, Mauro Carlos Costa. Role of density and electrostatic interactions in the viscosity and non-newtonian behavior of ionic liquids – a molecular dynamics study. Physical Chemistry Chemical Physics, v. 24, p. 6866-6879, 2022Tradução . . Disponível em: https://doi.org/10.1039/D1CP05692A. Acesso em: 19 jun. 2024.
APA
Bernardino, K., & Ribeiro, M. C. C. (2022). Role of density and electrostatic interactions in the viscosity and non-newtonian behavior of ionic liquids – a molecular dynamics study. Physical Chemistry Chemical Physics, 24, 6866-6879. doi:10.1039/D1CP05692A
NLM
Bernardino K, Ribeiro MCC. Role of density and electrostatic interactions in the viscosity and non-newtonian behavior of ionic liquids – a molecular dynamics study [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24 6866-6879.[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/D1CP05692A
Vancouver
Bernardino K, Ribeiro MCC. Role of density and electrostatic interactions in the viscosity and non-newtonian behavior of ionic liquids – a molecular dynamics study [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24 6866-6879.[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/D1CP05692A
Artigo de periodico
On the population of triplet states of 2-seleno-thymine (2021)
Valverde, Danillo ; Mai, Sebastian ; Araújo, Adalberto Vasconcelos Sanches de ; Canuto, Sylvio ; González, Leticia ; Borin, Antonio Carlos
Source: Physical Chemistry Chemical Physics. Unidades: IF, IQ
Subjects: FÍSICO-QUÍMICA, FOTOQUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
VALVERDE, Danillo et al. On the population of triplet states of 2-seleno-thymine. Physical Chemistry Chemical Physics, v. 23, p. 1-8 art. 5447 : + Supplementary materials ( S1-S5), 2021Tradução . . Disponível em: https://doi.org/10.1039/d1cp00041a. Acesso em: 19 jun. 2024.
APA
Valverde, D., Mai, S., Araújo, A. V. S. de, Canuto, S., González, L., & Borin, A. C. (2021). On the population of triplet states of 2-seleno-thymine. Physical Chemistry Chemical Physics, 23, 1-8 art. 5447 : + Supplementary materials ( S1-S5). doi:10.1039/d1cp00041a
NLM
Valverde D, Mai S, Araújo AVS de, Canuto S, González L, Borin AC. On the population of triplet states of 2-seleno-thymine [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 1-8 art. 5447 : + Supplementary materials ( S1-S5).[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/d1cp00041a
Vancouver
Valverde D, Mai S, Araújo AVS de, Canuto S, González L, Borin AC. On the population of triplet states of 2-seleno-thymine [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 1-8 art. 5447 : + Supplementary materials ( S1-S5).[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/d1cp00041a
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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 19 jun. 2024.
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 2024 jun. 19 ] 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 2024 jun. 19 ] Available from: https://doi.org/10.1039/d1cp01495a
Artigo de periodico
DFT study of H2 adsorption at a Cu-SSZ-13 zeolite: a cluster approach (2021)
Mounssef Junior, Bassim ; Morais, Sara Figueirêdo de Alcântara ; Batista, Ana Paula de Lima ; Lima, Lucas Welington de ; Braga, Ataualpa Albert Carmo
Source: Physical Chemistry Chemical Physics. Unidades: IQ, FFCLRP
Subjects: HIDROGÊNIO, ADSORÇÃO, MINERAIS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
MOUNSSEF JUNIOR, Bassim et al. DFT study of H2 adsorption at a Cu-SSZ-13 zeolite: a cluster approach. Physical Chemistry Chemical Physics, v. 23, p. 1-11 art. 9980–9990 : + Supplementary materials ( S1-S11), 2021Tradução . . Disponível em: https://doi.org/10.1039/d1cp00422k. Acesso em: 19 jun. 2024.
APA
Mounssef Junior, B., Morais, S. F. de A., Batista, A. P. de L., Lima, L. W. de, & Braga, A. A. C. (2021). DFT study of H2 adsorption at a Cu-SSZ-13 zeolite: a cluster approach. Physical Chemistry Chemical Physics, 23, 1-11 art. 9980–9990 : + Supplementary materials ( S1-S11). doi:10.1039/d1cp00422k
NLM
Mounssef Junior B, Morais SF de A, Batista AP de L, Lima LW de, Braga AAC. DFT study of H2 adsorption at a Cu-SSZ-13 zeolite: a cluster approach [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 1-11 art. 9980–9990 : + Supplementary materials ( S1-S11).[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/d1cp00422k
Vancouver
Mounssef Junior B, Morais SF de A, Batista AP de L, Lima LW de, Braga AAC. DFT study of H2 adsorption at a Cu-SSZ-13 zeolite: a cluster approach [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 1-11 art. 9980–9990 : + Supplementary materials ( S1-S11).[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/d1cp00422k
Artigo de periodico
Downplaying the role of water in the rheological changes of conducting polymers by using water-in-salt electrolytes (2021)
Obana, Thiago Takeshi ; Leite, Marina Moraes ; Martins, Vitor Leite ; Torresi, Roberto Manuel
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: ELETROQUÍMICA, REOLOGIA, ELETRÓLITOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
OBANA, Thiago Takeshi et al. Downplaying the role of water in the rheological changes of conducting polymers by using water-in-salt electrolytes. Physical Chemistry Chemical Physics, v. 23, p. 12251-12259, 2021Tradução . . Disponível em: https://doi.org/10.1039/D1CP01003D. Acesso em: 19 jun. 2024.
APA
Obana, T. T., Leite, M. M., Martins, V. L., & Torresi, R. M. (2021). Downplaying the role of water in the rheological changes of conducting polymers by using water-in-salt electrolytes. Physical Chemistry Chemical Physics, 23, 12251-12259. doi:10.1039/D1CP01003D
NLM
Obana TT, Leite MM, Martins VL, Torresi RM. Downplaying the role of water in the rheological changes of conducting polymers by using water-in-salt electrolytes [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 12251-12259.[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/D1CP01003D
Vancouver
Obana TT, Leite MM, Martins VL, Torresi RM. Downplaying the role of water in the rheological changes of conducting polymers by using water-in-salt electrolytes [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 12251-12259.[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/D1CP01003D
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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 19 jun. 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 jun. 19 ] 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 jun. 19 ] Available from: https://doi.org/10.1039/D0CP05849A
Artigo de periodico
Exploring the electronic states of the hydroxyl dication OH2+: thermodynamic (meta)stability, bound-free emission spectra, and charge transfer processes (2021)
Melo, Gabriel Fernando de ; Franzreb, Klaus; Ornellas, Fernando Rei
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: ÍONS, TERMODINÂMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
MELO, Gabriel Fernando de e FRANZREB, Klaus e ORNELLAS, Fernando Rei. Exploring the electronic states of the hydroxyl dication OH2+: thermodynamic (meta)stability, bound-free emission spectra, and charge transfer processes. Physical Chemistry Chemical Physics, v. 23, p. 13672–13679 : + Supplementary materials ( S1-S10), 2021Tradução . . Disponível em: https://doi.org/10.1039/d1cp01695d. Acesso em: 19 jun. 2024.
APA
Melo, G. F. de, Franzreb, K., & Ornellas, F. R. (2021). Exploring the electronic states of the hydroxyl dication OH2+: thermodynamic (meta)stability, bound-free emission spectra, and charge transfer processes. Physical Chemistry Chemical Physics, 23, 13672–13679 : + Supplementary materials ( S1-S10). doi:10.1039/d1cp01695d
NLM
Melo GF de, Franzreb K, Ornellas FR. Exploring the electronic states of the hydroxyl dication OH2+: thermodynamic (meta)stability, bound-free emission spectra, and charge transfer processes [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 13672–13679 : + Supplementary materials ( S1-S10).[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/d1cp01695d
Vancouver
Melo GF de, Franzreb K, Ornellas FR. Exploring the electronic states of the hydroxyl dication OH2+: thermodynamic (meta)stability, bound-free emission spectra, and charge transfer processes [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 13672–13679 : + Supplementary materials ( S1-S10).[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/d1cp01695d
Artigo de periodico
An inelastic neutron scattering, Raman, far-infrared, and molecular dynamics study of the intermolecular dynamics of two ionic liquids (2020)
Lima, Thamires A; Paschoal, Vitor Hugo ; Freitas, Rafael Sá de ; Faria, Luiz F. O. ; Zhixia, Li; Madhusudan, Tyagi; Y Z ; Ribeiro, Mauro Carlos Costa
Source: Physical Chemistry Chemical Physics. Unidades: IF, IQ
Subjects: FÍSICA MOLECULAR, MATERIAIS NANOESTRUTURADOS, MATERIAIS MAGNÉTICOS, NANOCIÊNCIA, ESPECTROSCOPIA ATÔMICA, LÍQUIDOS IÔNICOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
LIMA, Thamires A et al. An inelastic neutron scattering, Raman, far-infrared, and molecular dynamics study of the intermolecular dynamics of two ionic liquids. Physical Chemistry Chemical Physics, v. 22, n. 16, p. 9074-9085, 2020Tradução . . Disponível em: https://doi.org/10.1039/D0CP00374C. Acesso em: 19 jun. 2024.
APA
Lima, T. A., Paschoal, V. H., Freitas, R. S. de, Faria, L. F. O., Zhixia, L., Madhusudan, T., et al. (2020). An inelastic neutron scattering, Raman, far-infrared, and molecular dynamics study of the intermolecular dynamics of two ionic liquids. Physical Chemistry Chemical Physics, 22( 16), 9074-9085. doi:10.1039/D0CP00374C
NLM
Lima TA, Paschoal VH, Freitas RS de, Faria LFO, Zhixia L, Madhusudan T, Y Z, Ribeiro MCC. An inelastic neutron scattering, Raman, far-infrared, and molecular dynamics study of the intermolecular dynamics of two ionic liquids [Internet]. Physical Chemistry Chemical Physics. 2020 ; 22( 16): 9074-9085.[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/D0CP00374C
Vancouver
Lima TA, Paschoal VH, Freitas RS de, Faria LFO, Zhixia L, Madhusudan T, Y Z, Ribeiro MCC. An inelastic neutron scattering, Raman, far-infrared, and molecular dynamics study of the intermolecular dynamics of two ionic liquids [Internet]. Physical Chemistry Chemical Physics. 2020 ; 22( 16): 9074-9085.[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/D0CP00374C
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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 19 jun. 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 jun. 19 ] 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 jun. 19 ] Available from: https://doi.org/10.1039/C8CP01249K
Artigo de periodico
Can the tricyanomethanide anion improve 'CO IND. 2' absorption by acetate-based ionic liquids? (2017)
Lepre, Luiz Fernando; Szala-Bilnik, J; Pison, L; Traïkia, M; Pádua, A. A. H; Ando, Rômulo Augusto ; Gomes, M. F. Costa
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: LÍQUIDOS IÔNICOS, ABSORÇÃO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
LEPRE, Luiz Fernando et al. Can the tricyanomethanide anion improve 'CO IND. 2' absorption by acetate-based ionic liquids?. Physical Chemistry Chemical Physics, v. 19, n. 19, p. 12431-12440 : + supplementary materials (S1-S11), 2017Tradução . . Disponível em: https://doi.org/10.1039/c7cp01559c. Acesso em: 19 jun. 2024.
APA
Lepre, L. F., Szala-Bilnik, J., Pison, L., Traïkia, M., Pádua, A. A. H., Ando, R. A., & Gomes, M. F. C. (2017). Can the tricyanomethanide anion improve 'CO IND. 2' absorption by acetate-based ionic liquids? Physical Chemistry Chemical Physics, 19( 19), 12431-12440 : + supplementary materials (S1-S11). doi:10.1039/c7cp01559c
NLM
Lepre LF, Szala-Bilnik J, Pison L, Traïkia M, Pádua AAH, Ando RA, Gomes MFC. Can the tricyanomethanide anion improve 'CO IND. 2' absorption by acetate-based ionic liquids? [Internet]. Physical Chemistry Chemical Physics. 2017 ; 19( 19): 12431-12440 : + supplementary materials (S1-S11).[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/c7cp01559c
Vancouver
Lepre LF, Szala-Bilnik J, Pison L, Traïkia M, Pádua AAH, Ando RA, Gomes MFC. Can the tricyanomethanide anion improve 'CO IND. 2' absorption by acetate-based ionic liquids? [Internet]. Physical Chemistry Chemical Physics. 2017 ; 19( 19): 12431-12440 : + supplementary materials (S1-S11).[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/c7cp01559c
Artigo de periodico
Mechanism of activated chemiluminescence of cyclic peroxides: 1,2-dioxetanes and 1,2-dioxetanones (2017)
Augusto, Felipe Alberto; Monerris, Antonio Frances; Galván, Ignacio Fdez; Sanjuan, Daniel Raca; Bastos, Erick Leite ; Baader, Wilhelm Josef ; Lindh, Roland
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: BIOLUMINESCÊNCIA, LUCIFERIDAE
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
AUGUSTO, Felipe Alberto et al. Mechanism of activated chemiluminescence of cyclic peroxides: 1,2-dioxetanes and 1,2-dioxetanones. Physical Chemistry Chemical Physics, v. 19, n. 5, p. 3955-3962 : + supplementary materials (S1-S11), 2017Tradução . . Disponível em: https://doi.org/10.1039/c6cp08154a. Acesso em: 19 jun. 2024.
APA
Augusto, F. A., Monerris, A. F., Galván, I. F., Sanjuan, D. R., Bastos, E. L., Baader, W. J., & Lindh, R. (2017). Mechanism of activated chemiluminescence of cyclic peroxides: 1,2-dioxetanes and 1,2-dioxetanones. Physical Chemistry Chemical Physics, 19( 5), 3955-3962 : + supplementary materials (S1-S11). doi:10.1039/c6cp08154a
NLM
Augusto FA, Monerris AF, Galván IF, Sanjuan DR, Bastos EL, Baader WJ, Lindh R. Mechanism of activated chemiluminescence of cyclic peroxides: 1,2-dioxetanes and 1,2-dioxetanones [Internet]. Physical Chemistry Chemical Physics. 2017 ; 19( 5): 3955-3962 : + supplementary materials (S1-S11).[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/c6cp08154a
Vancouver
Augusto FA, Monerris AF, Galván IF, Sanjuan DR, Bastos EL, Baader WJ, Lindh R. Mechanism of activated chemiluminescence of cyclic peroxides: 1,2-dioxetanes and 1,2-dioxetanones [Internet]. Physical Chemistry Chemical Physics. 2017 ; 19( 5): 3955-3962 : + supplementary materials (S1-S11).[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/c6cp08154a
Artigo de periodico
Ab initio molecular dynamics relaxation and intersystem crossing mechanisms of 5-azacytosine (2017)
Borin, Antonio Carlos ; Mai, Sebastian; Marquetand, Philip; González, Leticia
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: QUÍMICA, FÍSICO-QUÍMICA ORGÂNICA, COMPUTAÇÃO APLICADA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
BORIN, Antonio Carlos et al. Ab initio molecular dynamics relaxation and intersystem crossing mechanisms of 5-azacytosine. Physical Chemistry Chemical Physics, v. 19, n. 8, p. 5888-5894 : + supplementary materials (S1-S5), 2017Tradução . . Disponível em: https://doi.org/10.1039/c6cp07919a. Acesso em: 19 jun. 2024.
APA
Borin, A. C., Mai, S., Marquetand, P., & González, L. (2017). Ab initio molecular dynamics relaxation and intersystem crossing mechanisms of 5-azacytosine. Physical Chemistry Chemical Physics, 19( 8), 5888-5894 : + supplementary materials (S1-S5). doi:10.1039/c6cp07919a
NLM
Borin AC, Mai S, Marquetand P, González L. Ab initio molecular dynamics relaxation and intersystem crossing mechanisms of 5-azacytosine [Internet]. Physical Chemistry Chemical Physics. 2017 ; 19( 8): 5888-5894 : + supplementary materials (S1-S5).[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/c6cp07919a
Vancouver
Borin AC, Mai S, Marquetand P, González L. Ab initio molecular dynamics relaxation and intersystem crossing mechanisms of 5-azacytosine [Internet]. Physical Chemistry Chemical Physics. 2017 ; 19( 8): 5888-5894 : + supplementary materials (S1-S5).[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/c6cp07919a
Artigo de periodico
Efficient multicolor tunability of ultrasmall ternary-doped 'LaF IND. 3' nanoparticles: energy conversion and magnetic behavior (2017)
Srivastava, Navadeep; Khan, Latif Ullah; Vargas, José Marcelo; Ospina, Carlos; Coaquira, José Antonio Q; Zoppellaro, Giorgio; Brito, Hermi Felinto de ; Javed, Yasir; Shukla, Dharma D; Felinto, Maria Claudia França da Cunha; Sharma, Surender Kumar
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: FOTOLUMINESCÊNCIA, NANOPARTÍCULAS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SRIVASTAVA, Navadeep et al. Efficient multicolor tunability of ultrasmall ternary-doped 'LaF IND. 3' nanoparticles: energy conversion and magnetic behavior. Physical Chemistry Chemical Physics, v. 19, n. 28, p. 18660-18670, 2017Tradução . . Disponível em: https://doi.org/10.1039/c7cp02235b. Acesso em: 19 jun. 2024.
APA
Srivastava, N., Khan, L. U., Vargas, J. M., Ospina, C., Coaquira, J. A. Q., Zoppellaro, G., et al. (2017). Efficient multicolor tunability of ultrasmall ternary-doped 'LaF IND. 3' nanoparticles: energy conversion and magnetic behavior. Physical Chemistry Chemical Physics, 19( 28), 18660-18670. doi:10.1039/c7cp02235b
NLM
Srivastava N, Khan LU, Vargas JM, Ospina C, Coaquira JAQ, Zoppellaro G, Brito HF de, Javed Y, Shukla DD, Felinto MCF da C, Sharma SK. Efficient multicolor tunability of ultrasmall ternary-doped 'LaF IND. 3' nanoparticles: energy conversion and magnetic behavior [Internet]. Physical Chemistry Chemical Physics. 2017 ; 19( 28): 18660-18670.[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/c7cp02235b
Vancouver
Srivastava N, Khan LU, Vargas JM, Ospina C, Coaquira JAQ, Zoppellaro G, Brito HF de, Javed Y, Shukla DD, Felinto MCF da C, Sharma SK. Efficient multicolor tunability of ultrasmall ternary-doped 'LaF IND. 3' nanoparticles: energy conversion and magnetic behavior [Internet]. Physical Chemistry Chemical Physics. 2017 ; 19( 28): 18660-18670.[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/c7cp02235b
Artigo de periodico
Probing the geometry reorganization from solution to gas-phase in putrescine derivatives by IRMPD, 'ANTPOT. 1H-NMR' and theoretical calculations (2017)
Correra, Thiago Carita ; Fernandes, André Santos; Reginato, Marcelo Mota; Ducati, Lucas Colucci ; Berden, Giel; Oomens, Jos
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: ESPECTROSCOPIA, SOLVATAÇÃO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
CORRERA, Thiago Carita et al. Probing the geometry reorganization from solution to gas-phase in putrescine derivatives by IRMPD, 'ANTPOT. 1H-NMR' and theoretical calculations. Physical Chemistry Chemical Physics, v. 19, n. 35, p. 24330-24340, 2017Tradução . . Disponível em: https://doi.org/10.1039/c7cp04617k. Acesso em: 19 jun. 2024.
APA
Correra, T. C., Fernandes, A. S., Reginato, M. M., Ducati, L. C., Berden, G., & Oomens, J. (2017). Probing the geometry reorganization from solution to gas-phase in putrescine derivatives by IRMPD, 'ANTPOT. 1H-NMR' and theoretical calculations. Physical Chemistry Chemical Physics, 19( 35), 24330-24340. doi:10.1039/c7cp04617k
NLM
Correra TC, Fernandes AS, Reginato MM, Ducati LC, Berden G, Oomens J. Probing the geometry reorganization from solution to gas-phase in putrescine derivatives by IRMPD, 'ANTPOT. 1H-NMR' and theoretical calculations [Internet]. Physical Chemistry Chemical Physics. 2017 ; 19( 35): 24330-24340.[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/c7cp04617k
Vancouver
Correra TC, Fernandes AS, Reginato MM, Ducati LC, Berden G, Oomens J. Probing the geometry reorganization from solution to gas-phase in putrescine derivatives by IRMPD, 'ANTPOT. 1H-NMR' and theoretical calculations [Internet]. Physical Chemistry Chemical Physics. 2017 ; 19( 35): 24330-24340.[citado 2024 jun. 19 ] Available from: https://doi.org/10.1039/c7cp04617k

USP Schools

ReP

Filtros

Authors

USP affiliated authors

Date published

Subjects

Funding Agencies

Normalized affiliation

Non normalized affiliation

Countries of institutions of collaboration