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Artigo de periodico
Formic acid stability in different solvents by DFT calculations (2024)
Alvim, Raphael da Silva ; Bresciani, Antonio Esio ; Alves, Rita Maria de Brito
Source: Journal of Molecular Modeling. Unidade: EP
Subjects: HIDROGENAÇÃO, TERMODINÂMICA
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ABNT
ALVIM, Raphael da Silva e BRESCIANI, Antonio Esio e ALVES, Rita Maria de Brito. Formic acid stability in different solvents by DFT calculations. Journal of Molecular Modeling, v. 20, n. 67, p. 1-12, 2024Tradução . . Disponível em: https://link.springer.com/article/10.1007/s00894-024-05849-9. Acesso em: 09 nov. 2025.
APA
Alvim, R. da S., Bresciani, A. E., & Alves, R. M. de B. (2024). Formic acid stability in different solvents by DFT calculations. Journal of Molecular Modeling, 20( 67), 1-12. doi:10.1007/s00894-024-05849-9
NLM
Alvim R da S, Bresciani AE, Alves RM de B. Formic acid stability in different solvents by DFT calculations [Internet]. Journal of Molecular Modeling. 2024 ;20( 67): 1-12.[citado 2025 nov. 09 ] Available from: https://link.springer.com/article/10.1007/s00894-024-05849-9
Vancouver
Alvim R da S, Bresciani AE, Alves RM de B. Formic acid stability in different solvents by DFT calculations [Internet]. Journal of Molecular Modeling. 2024 ;20( 67): 1-12.[citado 2025 nov. 09 ] Available from: https://link.springer.com/article/10.1007/s00894-024-05849-9
Artigo de periodico
Exploring the molecular solvatochromism, stability, reactivity, and non-linear optical response of resveratrol (2024)
Lima, Igo T; Gomes, Ramon F C; Paura, Edson N C; Provasi, Patricio Frederico ; Gester, Rodrigo do Monte ; Cunha, Antonio Rodrigues da
Source: Journal of Molecular Modeling. Unidade: IF
Assunto: TERMOQUÍMICA
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ABNT
LIMA, Igo T et al. Exploring the molecular solvatochromism, stability, reactivity, and non-linear optical response of resveratrol. Journal of Molecular Modeling, v. 30, 2024Tradução . . Disponível em: https://doi.org/10.1007/s00894-024-06108-7. Acesso em: 09 nov. 2025.
APA
Lima, I. T., Gomes, R. F. C., Paura, E. N. C., Provasi, P. F., Gester, R. do M., & Cunha, A. R. da. (2024). Exploring the molecular solvatochromism, stability, reactivity, and non-linear optical response of resveratrol. Journal of Molecular Modeling, 30. doi:10.1007/s00894-024-06108-7
NLM
Lima IT, Gomes RFC, Paura ENC, Provasi PF, Gester R do M, Cunha AR da. Exploring the molecular solvatochromism, stability, reactivity, and non-linear optical response of resveratrol [Internet]. Journal of Molecular Modeling. 2024 ; 30[citado 2025 nov. 09 ] Available from: https://doi.org/10.1007/s00894-024-06108-7
Vancouver
Lima IT, Gomes RFC, Paura ENC, Provasi PF, Gester R do M, Cunha AR da. Exploring the molecular solvatochromism, stability, reactivity, and non-linear optical response of resveratrol [Internet]. Journal of Molecular Modeling. 2024 ; 30[citado 2025 nov. 09 ] Available from: https://doi.org/10.1007/s00894-024-06108-7
Artigo de periodico
Predicting biological activity and design of 5-HT6 antagonists through assessment of ANN-QSAR models in the context of Alzheimer’s disease (2024)
Sousa, Daniel da Silva de ; Silva, Aldineia Pereira da ; Chiari, Laise Pellegrini Alencar ; Angelo, Rafaela M. de; Sousa, Alexsandro G. de; Honorio, Kathia Maria ; Silva, Alberico Borges Ferreira da
Source: Journal of Molecular Modeling. Unidades: EACH, IQSC
Subjects: DOENÇA DE ALZHEIMER, ANTAGONISTAS
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ABNT
SOUSA, Daniel da Silva de et al. Predicting biological activity and design of 5-HT6 antagonists through assessment of ANN-QSAR models in the context of Alzheimer’s disease. Journal of Molecular Modeling, v. 30, p. 350, 2024Tradução . . Disponível em: https://doi.org/10.1007/s00894-024-06134-5. Acesso em: 09 nov. 2025.
APA
Sousa, D. da S. de, Silva, A. P. da, Chiari, L. P. A., Angelo, R. M. de, Sousa, A. G. de, Honorio, K. M., & Silva, A. B. F. da. (2024). Predicting biological activity and design of 5-HT6 antagonists through assessment of ANN-QSAR models in the context of Alzheimer’s disease. Journal of Molecular Modeling, 30, 350. doi:10.1007/s00894-024-06134-5
NLM
Sousa D da S de, Silva AP da, Chiari LPA, Angelo RM de, Sousa AG de, Honorio KM, Silva ABF da. Predicting biological activity and design of 5-HT6 antagonists through assessment of ANN-QSAR models in the context of Alzheimer’s disease [Internet]. Journal of Molecular Modeling. 2024 ;30 350.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1007/s00894-024-06134-5
Vancouver
Sousa D da S de, Silva AP da, Chiari LPA, Angelo RM de, Sousa AG de, Honorio KM, Silva ABF da. Predicting biological activity and design of 5-HT6 antagonists through assessment of ANN-QSAR models in the context of Alzheimer’s disease [Internet]. Journal of Molecular Modeling. 2024 ;30 350.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1007/s00894-024-06134-5
Artigo de periodico
Palladium(II)-catalyzed annulation of N-methoxy amides and arynes: computational mechanistic insights and substituents effects (2024)
Alves, Erick Henrique de Souza ; Oliveira, Daniel Arley Santos ; Braga, Ataualpa Albert Carmo
Source: Journal of Molecular Modeling. Unidade: IQ
Subjects: PALÁDIO, SÍNTESE ORGÂNICA
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ABNT
ALVES, Erick Henrique de Souza e OLIVEIRA, Daniel Arley Santos e BRAGA, Ataualpa Albert Carmo. Palladium(II)-catalyzed annulation of N-methoxy amides and arynes: computational mechanistic insights and substituents effects. Journal of Molecular Modeling, v. 30, p. 1-11 art. 152, 2024Tradução . . Disponível em: https://dx.doi.org/10.1007/s00894-024-05930-3. Acesso em: 09 nov. 2025.
APA
Alves, E. H. de S., Oliveira, D. A. S., & Braga, A. A. C. (2024). Palladium(II)-catalyzed annulation of N-methoxy amides and arynes: computational mechanistic insights and substituents effects. Journal of Molecular Modeling, 30, 1-11 art. 152. doi:10.1007/s00894-024-05930-3
NLM
Alves EH de S, Oliveira DAS, Braga AAC. Palladium(II)-catalyzed annulation of N-methoxy amides and arynes: computational mechanistic insights and substituents effects [Internet]. Journal of Molecular Modeling. 2024 ; 30 1-11 art. 152.[citado 2025 nov. 09 ] Available from: https://dx.doi.org/10.1007/s00894-024-05930-3
Vancouver
Alves EH de S, Oliveira DAS, Braga AAC. Palladium(II)-catalyzed annulation of N-methoxy amides and arynes: computational mechanistic insights and substituents effects [Internet]. Journal of Molecular Modeling. 2024 ; 30 1-11 art. 152.[citado 2025 nov. 09 ] Available from: https://dx.doi.org/10.1007/s00894-024-05930-3
Artigo de periodico
A PLS study on the psychotropic activity for a series of cannabinoid compounds (2023)
Chiari, Laise Pellegrini Alencar ; Silva, Aldineia Pereira da ; Honorio, Kathia Maria ; Silva, Alberico Borges Ferreira da
Source: Journal of Molecular Modeling. Unidades: EACH, IQSC
Subjects: FÁRMACOS PSICOTRÓPICOS, CANABINOIDES, RECEPTORES, PROTEÍNAS, RELAÇÕES QUANTITATIVAS ENTRE ESTRUTURA QUÍMICA E ATIVIDADE BIOLÓGICA
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ABNT
CHIARI, Laise Pellegrini Alencar et al. A PLS study on the psychotropic activity for a series of cannabinoid compounds. Journal of Molecular Modeling, v. 29, 2023Tradução . . Disponível em: https://doi.org/10.1007/s00894-023-05443-5. Acesso em: 09 nov. 2025.
APA
Chiari, L. P. A., Silva, A. P. da, Honorio, K. M., & Silva, A. B. F. da. (2023). A PLS study on the psychotropic activity for a series of cannabinoid compounds. Journal of Molecular Modeling, 29. doi:10.1007/s00894-023-05443-5
NLM
Chiari LPA, Silva AP da, Honorio KM, Silva ABF da. A PLS study on the psychotropic activity for a series of cannabinoid compounds [Internet]. Journal of Molecular Modeling. 2023 ; 29[citado 2025 nov. 09 ] Available from: https://doi.org/10.1007/s00894-023-05443-5
Vancouver
Chiari LPA, Silva AP da, Honorio KM, Silva ABF da. A PLS study on the psychotropic activity for a series of cannabinoid compounds [Internet]. Journal of Molecular Modeling. 2023 ; 29[citado 2025 nov. 09 ] Available from: https://doi.org/10.1007/s00894-023-05443-5
Artigo de periodico
Accurate rate constants for elementary reactions of molecular hydrogen and carbon monoxide mixtures and the role of the H2 rich environment (2022)
Vichietti, Rafael M.; Spada, Rene F. K.; Machado, Francisco B. C.; Haiduke, Roberto Luiz Andrade
Source: Journal of Molecular Modeling. Unidade: IQSC
Subjects: ESTRUTURA ELETRÔNICA, QUÍMICA TEÓRICA, HIDROGÊNIO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
VICHIETTI, Rafael M. et al. Accurate rate constants for elementary reactions of molecular hydrogen and carbon monoxide mixtures and the role of the H2 rich environment. Journal of Molecular Modeling, v. 28, p. 229, 2022Tradução . . Disponível em: https://doi.org/10.1007/s00894-022-05207-7. Acesso em: 09 nov. 2025.
APA
Vichietti, R. M., Spada, R. F. K., Machado, F. B. C., & Haiduke, R. L. A. (2022). Accurate rate constants for elementary reactions of molecular hydrogen and carbon monoxide mixtures and the role of the H2 rich environment. Journal of Molecular Modeling, 28, 229. doi:10.1007/s00894-022-05207-7
NLM
Vichietti RM, Spada RFK, Machado FBC, Haiduke RLA. Accurate rate constants for elementary reactions of molecular hydrogen and carbon monoxide mixtures and the role of the H2 rich environment [Internet]. Journal of Molecular Modeling. 2022 ;28 229.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1007/s00894-022-05207-7
Vancouver
Vichietti RM, Spada RFK, Machado FBC, Haiduke RLA. Accurate rate constants for elementary reactions of molecular hydrogen and carbon monoxide mixtures and the role of the H2 rich environment [Internet]. Journal of Molecular Modeling. 2022 ;28 229.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1007/s00894-022-05207-7
Artigo de periodico
Understanding the reaction mechanism of the CO2 and cyclohexene oxide copolymerization catalyzed by zinc(II) and magnesium(II) catalysts: a DFT approach (2022)
Lima, Lucas Welington de ; Morais, Sara Figueirêdo de Alcântara ; Braga, Ataualpa Albert Carmo
Source: Journal of Molecular Modeling. Unidade: IQ
Subjects: CATALISADORES, ZINCO
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ABNT
LIMA, Lucas Welington de e MORAIS, Sara Figueirêdo de Alcântara e BRAGA, Ataualpa Albert Carmo. Understanding the reaction mechanism of the CO2 and cyclohexene oxide copolymerization catalyzed by zinc(II) and magnesium(II) catalysts: a DFT approach. Journal of Molecular Modeling, v. 28, p. 1-13 art. 314, 2022Tradução . . Disponível em: https://doi.org/10.21203/rs.3.rs-1713986/v1. Acesso em: 09 nov. 2025.
APA
Lima, L. W. de, Morais, S. F. de A., & Braga, A. A. C. (2022). Understanding the reaction mechanism of the CO2 and cyclohexene oxide copolymerization catalyzed by zinc(II) and magnesium(II) catalysts: a DFT approach. Journal of Molecular Modeling, 28, 1-13 art. 314. doi:10.21203/rs.3.rs-1713986/v1
NLM
Lima LW de, Morais SF de A, Braga AAC. Understanding the reaction mechanism of the CO2 and cyclohexene oxide copolymerization catalyzed by zinc(II) and magnesium(II) catalysts: a DFT approach [Internet]. Journal of Molecular Modeling. 2022 ; 28 1-13 art. 314.[citado 2025 nov. 09 ] Available from: https://doi.org/10.21203/rs.3.rs-1713986/v1
Vancouver
Lima LW de, Morais SF de A, Braga AAC. Understanding the reaction mechanism of the CO2 and cyclohexene oxide copolymerization catalyzed by zinc(II) and magnesium(II) catalysts: a DFT approach [Internet]. Journal of Molecular Modeling. 2022 ; 28 1-13 art. 314.[citado 2025 nov. 09 ] Available from: https://doi.org/10.21203/rs.3.rs-1713986/v1

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