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Artigo de periodico
Unraveling the acid–base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligand (2022)
Franco, Leandro Rezende ; Toledo, Kalil Cristhian Figueiredo ; Matias, Tiago Araujo; Benavides, Paola Andrea ; Cezar, Henrique ; Araujo, Moyses ; Coutinho, Kaline Rabelo ; Araki, Koiti
Source: Physical Chemistry Chemical Physics. Unidades: IF, IQ
Subjects: FÍSICA MOLECULAR, FÍSICO-QUÍMICA, SOLVENTE, MECÂNICA QUÂNTICA, MÉTODO DE MONTE CARLO
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ABNT
FRANCO, Leandro Rezende et al. Unraveling the acid–base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligand. Physical Chemistry Chemical Physics, v. 24, n. 17, p. 10222-10240, 2022Tradução . . Disponível em: https://doi.org/10.1039/D1CP03912A. Acesso em: 03 ago. 2024.
APA
Franco, L. R., Toledo, K. C. F., Matias, T. A., Benavides, P. A., Cezar, H., Araujo, M., et al. (2022). Unraveling the acid–base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligand. Physical Chemistry Chemical Physics, 24( 17), 10222-10240. doi:10.1039/D1CP03912A
NLM
Franco LR, Toledo KCF, Matias TA, Benavides PA, Cezar H, Araujo M, Coutinho KR, Araki K. Unraveling the acid–base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligand [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24( 17): 10222-10240.[citado 2024 ago. 03 ] Available from: https://doi.org/10.1039/D1CP03912A
Vancouver
Franco LR, Toledo KCF, Matias TA, Benavides PA, Cezar H, Araujo M, Coutinho KR, Araki K. Unraveling the acid–base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligand [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24( 17): 10222-10240.[citado 2024 ago. 03 ] Available from: https://doi.org/10.1039/D1CP03912A
Artigo de periodico
A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution (2021)
Cardenuto, Marcelo Hidalgo ; Cezar, Henrique ; Mikkelsen, Kurt V.; Sauer, Stephan P.A.; Coutinho, Kaline ; Canuto, Sylvio
Source: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. Unidade: IF
Subjects: MECÂNICA QUÂNTICA, FÍSICA MOLECULAR, ESPECTROSCOPIA DE ABSORÇÃO ATÔMICA, FÍSICO-QUÍMICA, RADIAÇÃO ELETROMAGNÉTICA, SOLVENTE, TERMOQUÍMICA
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ABNT
CARDENUTO, Marcelo Hidalgo et al. A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, v. 251, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.saa.2021.119434. Acesso em: 03 ago. 2024.
APA
Cardenuto, M. H., Cezar, H., Mikkelsen, K. V., Sauer, S. P. A., Coutinho, K., & Canuto, S. (2021). A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 251. doi:10.1016/j.saa.2021.119434
NLM
Cardenuto MH, Cezar H, Mikkelsen KV, Sauer SPA, Coutinho K, Canuto S. A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution [Internet]. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2021 ; 251[citado 2024 ago. 03 ] Available from: https://doi.org/10.1016/j.saa.2021.119434
Vancouver
Cardenuto MH, Cezar H, Mikkelsen KV, Sauer SPA, Coutinho K, Canuto S. A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution [Internet]. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2021 ; 251[citado 2024 ago. 03 ] Available from: https://doi.org/10.1016/j.saa.2021.119434
Artigo de periodico
Understanding the absorption spectrum of mesityl oxide dye in solvents of different polarities (2020)
Cezar, Henrique Musseli ; Canuto, Sylvio ; Coutinho, Kaline
Source: Journal of Molecular Liquids. Unidade: IF
Assunto: MECÂNICA QUÂNTICA
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ABNT
CEZAR, Henrique Musseli e CANUTO, Sylvio e COUTINHO, Kaline. Understanding the absorption spectrum of mesityl oxide dye in solvents of different polarities. Journal of Molecular Liquids, v. 307, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molliq.2020.112924. Acesso em: 03 ago. 2024.
APA
Cezar, H. M., Canuto, S., & Coutinho, K. (2020). Understanding the absorption spectrum of mesityl oxide dye in solvents of different polarities. Journal of Molecular Liquids, 307. doi:10.1016/j.molliq.2020.112924
NLM
Cezar HM, Canuto S, Coutinho K. Understanding the absorption spectrum of mesityl oxide dye in solvents of different polarities [Internet]. Journal of Molecular Liquids. 2020 ; 307[citado 2024 ago. 03 ] Available from: https://doi.org/10.1016/j.molliq.2020.112924
Vancouver
Cezar HM, Canuto S, Coutinho K. Understanding the absorption spectrum of mesityl oxide dye in solvents of different polarities [Internet]. Journal of Molecular Liquids. 2020 ; 307[citado 2024 ago. 03 ] Available from: https://doi.org/10.1016/j.molliq.2020.112924
Artigo de periodico
DICE: A Monte Carlo Code for Molecular Simulation Including the Configurational Bias Monte Carlo Method (2020)
Cezar, Henrique Musseli ; Canuto, Sylvio Roberto Accioly ; Coutinho, Kaline Rabelo
Source: Journal of Chemical Information Modeling. Unidade: IF
Assunto: MÉTODO DE MONTE CARLO
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ABNT
CEZAR, Henrique Musseli e CANUTO, Sylvio Roberto Accioly e COUTINHO, Kaline Rabelo. DICE: A Monte Carlo Code for Molecular Simulation Including the Configurational Bias Monte Carlo Method. Journal of Chemical Information Modeling, v. 60, n. 7, p. 3472–3488, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.0c00077. Acesso em: 03 ago. 2024.
APA
Cezar, H. M., Canuto, S. R. A., & Coutinho, K. R. (2020). DICE: A Monte Carlo Code for Molecular Simulation Including the Configurational Bias Monte Carlo Method. Journal of Chemical Information Modeling, 60( 7), 3472–3488. doi:10.1021/acs.jcim.0c00077
NLM
Cezar HM, Canuto SRA, Coutinho KR. DICE: A Monte Carlo Code for Molecular Simulation Including the Configurational Bias Monte Carlo Method [Internet]. Journal of Chemical Information Modeling. 2020 ; 60( 7): 3472–3488.[citado 2024 ago. 03 ] Available from: https://doi.org/10.1021/acs.jcim.0c00077
Vancouver
Cezar HM, Canuto SRA, Coutinho KR. DICE: A Monte Carlo Code for Molecular Simulation Including the Configurational Bias Monte Carlo Method [Internet]. Journal of Chemical Information Modeling. 2020 ; 60( 7): 3472–3488.[citado 2024 ago. 03 ] Available from: https://doi.org/10.1021/acs.jcim.0c00077
Artigo de periodico
Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods (2019)
Cezar, Henrique Musseli; Coutinho, Kaline Rabelo ; Canuto, Sylvio Roberto Accioly
Source: International Journal of Quantum Chemistry. Unidade: IF
Subjects: NANOTECNOLOGIA, MODELAGEM MOLECULAR
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ABNT
CEZAR, Henrique Musseli e COUTINHO, Kaline Rabelo e CANUTO, Sylvio Roberto Accioly. Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods. International Journal of Quantum Chemistry, v. 119, n. 1, 2019Tradução . . Disponível em: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/qua.25688. Acesso em: 03 ago. 2024.
APA
Cezar, H. M., Coutinho, K. R., & Canuto, S. R. A. (2019). Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods. International Journal of Quantum Chemistry, 119( 1). doi:10.1002/qua.25688
NLM
Cezar HM, Coutinho KR, Canuto SRA. Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods [Internet]. International Journal of Quantum Chemistry. 2019 ; 119( 1):[citado 2024 ago. 03 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/qua.25688
Vancouver
Cezar HM, Coutinho KR, Canuto SRA. Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods [Internet]. International Journal of Quantum Chemistry. 2019 ; 119( 1):[citado 2024 ago. 03 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/qua.25688

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