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MEDEIROS, Flávio Soares et al. A quantum chemical investigation of the interaction of perfluoropropionic acid with monoethanolamine and sulfuric acid in the atmosphere. Computational and Theoretical Chemistry, v. 1233, 2024Tradução . . Disponível em: https://repositorio.usp.br/directbitstream/3fcf4a48-9a01-4bf9-bec7-d813ece3599d/1-s2.0-S2210271X24000240-main.pdf. Acesso em: 24 jun. 2024.
APA
Medeiros, F. S., Oliveira, K. M. T., Canuto, S. R. A., & Chaudhuri, P. (2024). A quantum chemical investigation of the interaction of perfluoropropionic acid with monoethanolamine and sulfuric acid in the atmosphere. Computational and Theoretical Chemistry, 1233. doi:10.1016/j.comptc.2024.114485
NLM
Medeiros FS, Oliveira KMT, Canuto SRA, Chaudhuri P. A quantum chemical investigation of the interaction of perfluoropropionic acid with monoethanolamine and sulfuric acid in the atmosphere [Internet]. Computational and Theoretical Chemistry. 2024 ; 1233[citado 2024 jun. 24 ] Available from: https://repositorio.usp.br/directbitstream/3fcf4a48-9a01-4bf9-bec7-d813ece3599d/1-s2.0-S2210271X24000240-main.pdf
Vancouver
Medeiros FS, Oliveira KMT, Canuto SRA, Chaudhuri P. A quantum chemical investigation of the interaction of perfluoropropionic acid with monoethanolamine and sulfuric acid in the atmosphere [Internet]. Computational and Theoretical Chemistry. 2024 ; 1233[citado 2024 jun. 24 ] Available from: https://repositorio.usp.br/directbitstream/3fcf4a48-9a01-4bf9-bec7-d813ece3599d/1-s2.0-S2210271X24000240-main.pdf
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DAMASCENO, Marcus Vinícius A et al. Modulation of the NLO properties of p-coumaric acid by the solvent effects and proton dissociation. Journal of Molecular Liquids, v. 394, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.molliq.2023.123587. Acesso em: 24 jun. 2024.
APA
Damasceno, M. V. A., Cunha, A. R. da, Provasi, P. F., Pagola, G. I., Siqueira, M., Manzoni, V., et al. (2024). Modulation of the NLO properties of p-coumaric acid by the solvent effects and proton dissociation. Journal of Molecular Liquids, 394. doi:https://doi.org/10.1016/j.molliq.2023.123587
NLM
Damasceno MVA, Cunha AR da, Provasi PF, Pagola GI, Siqueira M, Manzoni V, Gester R do M, Canuto SRA. Modulation of the NLO properties of p-coumaric acid by the solvent effects and proton dissociation [Internet]. Journal of Molecular Liquids. 2024 ; 394[citado 2024 jun. 24 ] Available from: https://doi.org/10.1016/j.molliq.2023.123587
Vancouver
Damasceno MVA, Cunha AR da, Provasi PF, Pagola GI, Siqueira M, Manzoni V, Gester R do M, Canuto SRA. Modulation of the NLO properties of p-coumaric acid by the solvent effects and proton dissociation [Internet]. Journal of Molecular Liquids. 2024 ; 394[citado 2024 jun. 24 ] Available from: https://doi.org/10.1016/j.molliq.2023.123587
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VIEIRA, Vinícius Manzoni et al. Theoretical study of the absorption and emission spectra of 1,2-Bis(9-anthryl)acetylene in cyclohexane and acetonitrile. Chemical Physics Letters, v. 830, p. 06 ; agosto de 2023, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.cplett.2023.140775. Acesso em: 24 jun. 2024.
APA
Vieira, V. M., Orozco-Gonzalez, Y., Peon, J., & Canuto, S. (2023). Theoretical study of the absorption and emission spectra of 1,2-Bis(9-anthryl)acetylene in cyclohexane and acetonitrile. Chemical Physics Letters, 830, 06 ; agosto de 2023. doi:10.1016/j.cplett.2023.140775
NLM
Vieira VM, Orozco-Gonzalez Y, Peon J, Canuto S. Theoretical study of the absorption and emission spectra of 1,2-Bis(9-anthryl)acetylene in cyclohexane and acetonitrile [Internet]. Chemical Physics Letters. 2023 ; 830 06 ; agosto de 2023.[citado 2024 jun. 24 ] Available from: https://doi.org/10.1016/j.cplett.2023.140775
Vancouver
Vieira VM, Orozco-Gonzalez Y, Peon J, Canuto S. Theoretical study of the absorption and emission spectra of 1,2-Bis(9-anthryl)acetylene in cyclohexane and acetonitrile [Internet]. Chemical Physics Letters. 2023 ; 830 06 ; agosto de 2023.[citado 2024 jun. 24 ] Available from: https://doi.org/10.1016/j.cplett.2023.140775
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FONSECA, Sávio et al. The Solute Polarization and Structural Effects on the Nonlinear Optical Response of Based Chromone Molecules. ChemPhysChem, v. 24, n. 12, 2023Tradução . . Disponível em: https://doi.org/10.1002/cphc.202300060. Acesso em: 24 jun. 2024.
APA
Fonseca, S., Santos, N. S. S. dos, Cunha, A. R. da, Canuto, S., Provasi, P. F., Andrade-Filho, T., & Gester, R. (2023). The Solute Polarization and Structural Effects on the Nonlinear Optical Response of Based Chromone Molecules. ChemPhysChem, 24( 12). doi:10.1002/cphc.202300060
NLM
Fonseca S, Santos NSS dos, Cunha AR da, Canuto S, Provasi PF, Andrade-Filho T, Gester R. The Solute Polarization and Structural Effects on the Nonlinear Optical Response of Based Chromone Molecules [Internet]. ChemPhysChem. 2023 ; 24( 12):[citado 2024 jun. 24 ] Available from: https://doi.org/10.1002/cphc.202300060
Vancouver
Fonseca S, Santos NSS dos, Cunha AR da, Canuto S, Provasi PF, Andrade-Filho T, Gester R. The Solute Polarization and Structural Effects on the Nonlinear Optical Response of Based Chromone Molecules [Internet]. ChemPhysChem. 2023 ; 24( 12):[citado 2024 jun. 24 ] Available from: https://doi.org/10.1002/cphc.202300060
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RAMOS, Tárcius N. et al. Calculation of the one- and two-photon absorption spectra of water-soluble stilbene derivatives using a multiscale QM/MM approach. Chinese Journal of Chemical Physics (CJCP), v. 159, n. 2, 2023Tradução . . Disponível em: https://doi.org/10.1063/5.0152308. Acesso em: 24 jun. 2024.
APA
Ramos, T. N., Franco, L., Silva, D., & Canuto, S. (2023). Calculation of the one- and two-photon absorption spectra of water-soluble stilbene derivatives using a multiscale QM/MM approach. Chinese Journal of Chemical Physics (CJCP), 159( 2). doi:10.1063/5.0152308
NLM
Ramos TN, Franco L, Silva D, Canuto S. Calculation of the one- and two-photon absorption spectra of water-soluble stilbene derivatives using a multiscale QM/MM approach [Internet]. Chinese Journal of Chemical Physics (CJCP). 2023 ; 159( 2):[citado 2024 jun. 24 ] Available from: https://doi.org/10.1063/5.0152308
Vancouver
Ramos TN, Franco L, Silva D, Canuto S. Calculation of the one- and two-photon absorption spectra of water-soluble stilbene derivatives using a multiscale QM/MM approach [Internet]. Chinese Journal of Chemical Physics (CJCP). 2023 ; 159( 2):[citado 2024 jun. 24 ] Available from: https://doi.org/10.1063/5.0152308
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VALVERDE, Danillo e GEORG, Herbert C. e CANUTO, Sylvio Roberto Accioly. Free-Energy Landscape of the S(N)2 Reaction CH3Br + Cl- ? CH3Cl + Br- in Different Liquid Environments. Journal of Physical Chemistry B, v. 126, n. 20, p. 3685-3692, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcb.1c10282. Acesso em: 24 jun. 2024.
APA
Valverde, D., Georg, H. C., & Canuto, S. R. A. (2022). Free-Energy Landscape of the S(N)2 Reaction CH3Br + Cl- ? CH3Cl + Br- in Different Liquid Environments. Journal of Physical Chemistry B, 126( 20), 3685-3692. doi:10.1021/acs.jpcb.1c10282
NLM
Valverde D, Georg HC, Canuto SRA. Free-Energy Landscape of the S(N)2 Reaction CH3Br + Cl- ? CH3Cl + Br- in Different Liquid Environments [Internet]. Journal of Physical Chemistry B. 2022 ; 126( 20): 3685-3692.[citado 2024 jun. 24 ] Available from: https://doi.org/10.1021/acs.jpcb.1c10282
Vancouver
Valverde D, Georg HC, Canuto SRA. Free-Energy Landscape of the S(N)2 Reaction CH3Br + Cl- ? CH3Cl + Br- in Different Liquid Environments [Internet]. Journal of Physical Chemistry B. 2022 ; 126( 20): 3685-3692.[citado 2024 jun. 24 ] Available from: https://doi.org/10.1021/acs.jpcb.1c10282
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VALVERDE, Danillo et al. Ultrafast intersystem crossing dynamics of 6-selenoguanine in water. Journal of the American Chemical Society, v. 2, n. 7, p. 1699-1711, 2022Tradução . . Disponível em: https://doi.org/10.1021/jacsau.2c00250. Acesso em: 24 jun. 2024.
APA
Valverde, D., Mai, S., Canuto, S. R. A., Borin, A. C., & González, L. (2022). Ultrafast intersystem crossing dynamics of 6-selenoguanine in water. Journal of the American Chemical Society, 2( 7), 1699-1711. doi:10.1021/jacsau.2c00250
NLM
Valverde D, Mai S, Canuto SRA, Borin AC, González L. Ultrafast intersystem crossing dynamics of 6-selenoguanine in water [Internet]. Journal of the American Chemical Society. 2022 ; 2( 7): 1699-1711.[citado 2024 jun. 24 ] Available from: https://doi.org/10.1021/jacsau.2c00250
Vancouver
Valverde D, Mai S, Canuto SRA, Borin AC, González L. Ultrafast intersystem crossing dynamics of 6-selenoguanine in water [Internet]. Journal of the American Chemical Society. 2022 ; 2( 7): 1699-1711.[citado 2024 jun. 24 ] Available from: https://doi.org/10.1021/jacsau.2c00250
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GESTER, Rodrigo et al. Theoretical analysis of the influence of C–H⋯ O bonds on the NMR constants of uracil in DMSO. Theoretical Chemistry Accounts, v. 139, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00214-020-02670-4. Acesso em: 24 jun. 2024.
APA
Gester, R., Carrano, R. S. G., Provasi, P. F., Bistafa, C., & Canuto, S. R. A. (2020). Theoretical analysis of the influence of C–H⋯ O bonds on the NMR constants of uracil in DMSO. Theoretical Chemistry Accounts, 139. doi:10.1007/s00214-020-02670-4
NLM
Gester R, Carrano RSG, Provasi PF, Bistafa C, Canuto SRA. Theoretical analysis of the influence of C–H⋯ O bonds on the NMR constants of uracil in DMSO [Internet]. Theoretical Chemistry Accounts. 2020 ; 139[citado 2024 jun. 24 ] Available from: https://doi.org/10.1007/s00214-020-02670-4
Vancouver
Gester R, Carrano RSG, Provasi PF, Bistafa C, Canuto SRA. Theoretical analysis of the influence of C–H⋯ O bonds on the NMR constants of uracil in DMSO [Internet]. Theoretical Chemistry Accounts. 2020 ; 139[citado 2024 jun. 24 ] Available from: https://doi.org/10.1007/s00214-020-02670-4
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ARTAXO, P. e CANUTO, Sylvio Roberto Accioly. Vetores Saudáveis: O Relacionamento entre Pandemias, Clima e Biodiversidade [Depoimento]. . São Paulo: IEA/USP. Disponível em: https://www.youtube.com/watch?v=AX1SrhPBrbQ&t=2125s. Acesso em: 24 jun. 2024. , 2020
APA
Artaxo, P., & Canuto, S. R. A. (2020). Vetores Saudáveis: O Relacionamento entre Pandemias, Clima e Biodiversidade [Depoimento]. São Paulo: IEA/USP. Recuperado de https://www.youtube.com/watch?v=AX1SrhPBrbQ&t=2125s
NLM
Artaxo P, Canuto SRA. Vetores Saudáveis: O Relacionamento entre Pandemias, Clima e Biodiversidade [Depoimento] [Internet]. 2020 ;[citado 2024 jun. 24 ] Available from: https://www.youtube.com/watch?v=AX1SrhPBrbQ&t=2125s
Vancouver
Artaxo P, Canuto SRA. Vetores Saudáveis: O Relacionamento entre Pandemias, Clima e Biodiversidade [Depoimento] [Internet]. 2020 ;[citado 2024 jun. 24 ] Available from: https://www.youtube.com/watch?v=AX1SrhPBrbQ&t=2125s
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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: 24 jun. 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 jun. 24 ] 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 jun. 24 ] Available from: https://doi.org/10.1016/j.molliq.2020.112924
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RAMOS, Tárcius e CANUTO, Sylvio e CHAMPAGNE, Benoît. Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method. Journal of Chemical Information and Modeling, v. 60, n. 10, p. 4817–4826, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b01161. Acesso em: 24 jun. 2024.
APA
Ramos, T., Canuto, S., & Champagne, B. (2020). Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method. Journal of Chemical Information and Modeling, 60( 10), 4817–4826. doi:10.1021/acs.jcim.9b01161
NLM
Ramos T, Canuto S, Champagne B. Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 10): 4817–4826.[citado 2024 jun. 24 ] Available from: https://doi.org/10.1021/acs.jcim.9b01161
Vancouver
Ramos T, Canuto S, Champagne B. Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 10): 4817–4826.[citado 2024 jun. 24 ] Available from: https://doi.org/10.1021/acs.jcim.9b01161
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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: 24 jun. 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 jun. 24 ] 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 jun. 24 ] Available from: https://doi.org/10.1021/acs.jcim.0c00077
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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: 24 jun. 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 jun. 24 ] 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 jun. 24 ] Available from: https://doi.org/10.1021/acs.jpca.0c03398
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LUDWIG, Valdemir et al. Free energy gradient for understanding the stability and properties of neutral and charged L-alanine molecule in water. Journal of Molecular Liquids, v. 319, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molliq.2020.114109. Acesso em: 24 jun. 2024.
APA
Ludwig, V., Ludwig, Z. Mda C., Valverde, D., Georg, H., & Canuto, S. R. A. (2020). Free energy gradient for understanding the stability and properties of neutral and charged L-alanine molecule in water. Journal of Molecular Liquids, 319. doi:10.1016/j.molliq.2020.114109
NLM
Ludwig V, Ludwig ZMda C, Valverde D, Georg H, Canuto SRA. Free energy gradient for understanding the stability and properties of neutral and charged L-alanine molecule in water [Internet]. Journal of Molecular Liquids. 2020 ; 319[citado 2024 jun. 24 ] Available from: https://doi.org/10.1016/j.molliq.2020.114109
Vancouver
Ludwig V, Ludwig ZMda C, Valverde D, Georg H, Canuto SRA. Free energy gradient for understanding the stability and properties of neutral and charged L-alanine molecule in water [Internet]. Journal of Molecular Liquids. 2020 ; 319[citado 2024 jun. 24 ] Available from: https://doi.org/10.1016/j.molliq.2020.114109
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VEQUI-SUPLICY, Cintia C et al. A new interpretation of the absorption and the dual fluorescence of Prodan in solution. Journal fo Chemical Physics, v. 153, 2020Tradução . . Disponível em: https://doi.org/10.1063/5.0025013. Acesso em: 24 jun. 2024.
APA
Vequi-Suplicy, C. C., Orozco Gonzalez, Y., Canuto, S. R. A., Coutinho, K. R., & Lamy, M. T. M. (2020). A new interpretation of the absorption and the dual fluorescence of Prodan in solution. Journal fo Chemical Physics, 153. doi:10.1063/5.0025013
NLM
Vequi-Suplicy CC, Orozco Gonzalez Y, Canuto SRA, Coutinho KR, Lamy MTM. A new interpretation of the absorption and the dual fluorescence of Prodan in solution [Internet]. Journal fo Chemical Physics. 2020 ; 153[citado 2024 jun. 24 ] Available from: https://doi.org/10.1063/5.0025013
Vancouver
Vequi-Suplicy CC, Orozco Gonzalez Y, Canuto SRA, Coutinho KR, Lamy MTM. A new interpretation of the absorption and the dual fluorescence of Prodan in solution [Internet]. Journal fo Chemical Physics. 2020 ; 153[citado 2024 jun. 24 ] Available from: https://doi.org/10.1063/5.0025013
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GESTER, Rodrigo et al. A theoretical study of the magnetic shielding of 15N of formamide in liquid water. Journal of Molecular Liquids, v. 320, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molliq.2020.114415. Acesso em: 24 jun. 2024.
APA
Gester, R., Damasceno, M. V. A., Canuto, S. R. A., & Manzoni, V. (2020). A theoretical study of the magnetic shielding of 15N of formamide in liquid water. Journal of Molecular Liquids, 320. doi:10.1016/j.molliq.2020.114415
NLM
Gester R, Damasceno MVA, Canuto SRA, Manzoni V. A theoretical study of the magnetic shielding of 15N of formamide in liquid water [Internet]. Journal of Molecular Liquids. 2020 ; 320[citado 2024 jun. 24 ] Available from: https://doi.org/10.1016/j.molliq.2020.114415
Vancouver
Gester R, Damasceno MVA, Canuto SRA, Manzoni V. A theoretical study of the magnetic shielding of 15N of formamide in liquid water [Internet]. Journal of Molecular Liquids. 2020 ; 320[citado 2024 jun. 24 ] Available from: https://doi.org/10.1016/j.molliq.2020.114415
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BISTAFA, Carlos et al. Quantum mechanics meets scaling theory near the critical point. Theoretical Chemistry Accounts, v. 139, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00214-020-02596-x. Acesso em: 24 jun. 2024.
APA
Bistafa, C., Ramos, T. N., Coutinho, K. R., & Canuto, S. (2020). Quantum mechanics meets scaling theory near the critical point. Theoretical Chemistry Accounts, 139. doi:10.1007/s00214-020-02596-x
NLM
Bistafa C, Ramos TN, Coutinho KR, Canuto S. Quantum mechanics meets scaling theory near the critical point [Internet]. Theoretical Chemistry Accounts. 2020 ; 139[citado 2024 jun. 24 ] Available from: https://doi.org/10.1007/s00214-020-02596-x
Vancouver
Bistafa C, Ramos TN, Coutinho KR, Canuto S. Quantum mechanics meets scaling theory near the critical point [Internet]. Theoretical Chemistry Accounts. 2020 ; 139[citado 2024 jun. 24 ] Available from: https://doi.org/10.1007/s00214-020-02596-x
; Baffa, Oswaldo (Editor) 
