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Artigo de periodico
Ruthenium(II)-arene complexes containing β-diketonates: Leishmanicidal activity evaluated by the combination of experimental data, docking and DFT calculations (2026)
Macêdo, Roberta R.; Miranda, Victor M ; Costa, Tássia S. R. da ; Teixeira, Renata M.S.; Silva, Samuel de Souza e; Machado, Antônio E. H. ; Oliveira, Guedmiller Souza de ; Araujo, Diesley Martins da Silva ; Deflon, Victor Marcelo ; Maia, Pedro Ivo da Silva ; Yoneyama, Kelly A.G.; Von Poelhsitz, Gustavo
Source: Journal of Molecular Structure. Unidade: IQSC
Subjects: RUTÊNIO, ANTIPARASITÁRIOS, ESTRUTURA ELETRÔNICA
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ABNT
MACÊDO, Roberta R. et al. Ruthenium(II)-arene complexes containing β-diketonates: Leishmanicidal activity evaluated by the combination of experimental data, docking and DFT calculations. Journal of Molecular Structure, 2026Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2025.144215. Acesso em: 28 nov. 2025.
APA
Macêdo, R. R., Miranda, V. M., Costa, T. S. R. da, Teixeira, R. M. S., Silva, S. de S. e, Machado, A. E. H., et al. (2026). Ruthenium(II)-arene complexes containing β-diketonates: Leishmanicidal activity evaluated by the combination of experimental data, docking and DFT calculations. Journal of Molecular Structure. doi:10.1016/j.molstruc.2025.144215
NLM
Macêdo RR, Miranda VM, Costa TSR da, Teixeira RMS, Silva S de S e, Machado AEH, Oliveira GS de, Araujo DM da S, Deflon VM, Maia PI da S, Yoneyama KAG, Von Poelhsitz G. Ruthenium(II)-arene complexes containing β-diketonates: Leishmanicidal activity evaluated by the combination of experimental data, docking and DFT calculations [Internet]. Journal of Molecular Structure. 2026 ;[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2025.144215
Vancouver
Macêdo RR, Miranda VM, Costa TSR da, Teixeira RMS, Silva S de S e, Machado AEH, Oliveira GS de, Araujo DM da S, Deflon VM, Maia PI da S, Yoneyama KAG, Von Poelhsitz G. Ruthenium(II)-arene complexes containing β-diketonates: Leishmanicidal activity evaluated by the combination of experimental data, docking and DFT calculations [Internet]. Journal of Molecular Structure. 2026 ;[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2025.144215
Artigo de periodico
Oxime-derived palladacycles bearing 2,6-lutidine: synthesis, cytotoxicity evaluation and interactions with biomolecules (2025)
Polez, Ana Maria Romão; Farias, Renan Lira de; Lima, Andresa Alves de; Lazzarini, Ana Beatriz; Moura, Thales Reggiani de; Velasques, Jecika Maciel; Souza, Jessica Carolina; Rocha, Fillipe Vieira; Lima, Mauro Almeida; Ellena, Javier ; Miranda, Victor Maia ; Deflon, Victor Marcelo ; Moreira, Mariete Barbosa; Netto, Adelino Vieira de Godoy
Source: Journal of Molecular Structure. Unidades: IFSC, IQSC
Subjects: NEOPLASIAS, DNA, COMPOSTOS DE COORDENAÇÃO
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ABNT
POLEZ, Ana Maria Romão et al. Oxime-derived palladacycles bearing 2,6-lutidine: synthesis, cytotoxicity evaluation and interactions with biomolecules. Journal of Molecular Structure, v. 1321, p. 140232-1-140232-11, 2025Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2024.140232. Acesso em: 28 nov. 2025.
APA
Polez, A. M. R., Farias, R. L. de, Lima, A. A. de, Lazzarini, A. B., Moura, T. R. de, Velasques, J. M., et al. (2025). Oxime-derived palladacycles bearing 2,6-lutidine: synthesis, cytotoxicity evaluation and interactions with biomolecules. Journal of Molecular Structure, 1321, 140232-1-140232-11. doi:10.1016/j.molstruc.2024.140232
NLM
Polez AMR, Farias RL de, Lima AA de, Lazzarini AB, Moura TR de, Velasques JM, Souza JC, Rocha FV, Lima MA, Ellena J, Miranda VM, Deflon VM, Moreira MB, Netto AV de G. Oxime-derived palladacycles bearing 2,6-lutidine: synthesis, cytotoxicity evaluation and interactions with biomolecules [Internet]. Journal of Molecular Structure. 2025 ; 1321 140232-1-140232-11.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2024.140232
Vancouver
Polez AMR, Farias RL de, Lima AA de, Lazzarini AB, Moura TR de, Velasques JM, Souza JC, Rocha FV, Lima MA, Ellena J, Miranda VM, Deflon VM, Moreira MB, Netto AV de G. Oxime-derived palladacycles bearing 2,6-lutidine: synthesis, cytotoxicity evaluation and interactions with biomolecules [Internet]. Journal of Molecular Structure. 2025 ; 1321 140232-1-140232-11.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2024.140232
Artigo de periodico
Quercetin analogues of kojic acid as strong antioxidant derivatives: Theoretical insights (2025)
Lobato, Cleison C.; Sousa, Daniel da Silva de ; Cardoso, Anne G.B.; Vale, Joyce K.L.; Aguiar, Cristiane P.O. de; Silva, Alberico Borges Ferreira da ; Borges, Rosivaldo S.
Source: Journal of Molecular Structure. Unidade: IQSC
Subjects: ANTIOXIDANTES, FLAVONOIDES
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ABNT
LOBATO, Cleison C. et al. Quercetin analogues of kojic acid as strong antioxidant derivatives: Theoretical insights. Journal of Molecular Structure, v. 1322, p. 140480, 2025Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2024.140480. Acesso em: 28 nov. 2025.
APA
Lobato, C. C., Sousa, D. da S. de, Cardoso, A. G. B., Vale, J. K. L., Aguiar, C. P. O. de, Silva, A. B. F. da, & Borges, R. S. (2025). Quercetin analogues of kojic acid as strong antioxidant derivatives: Theoretical insights. Journal of Molecular Structure, 1322, 140480. doi:10.1016/j.molstruc.2024.140480
NLM
Lobato CC, Sousa D da S de, Cardoso AGB, Vale JKL, Aguiar CPO de, Silva ABF da, Borges RS. Quercetin analogues of kojic acid as strong antioxidant derivatives: Theoretical insights [Internet]. Journal of Molecular Structure. 2025 ;1322 140480.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2024.140480
Vancouver
Lobato CC, Sousa D da S de, Cardoso AGB, Vale JKL, Aguiar CPO de, Silva ABF da, Borges RS. Quercetin analogues of kojic acid as strong antioxidant derivatives: Theoretical insights [Internet]. Journal of Molecular Structure. 2025 ;1322 140480.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2024.140480
Artigo de periodico
Intramolecular Heck-Matsuda reaction for the asymmetric synthesis of a spirobenzofuran using chiral N,N-Ligands: Experimental and theoretical insights into the catalytic cycle and enantioselectivity (2025)
Silva, Vitor Hugo Menezes da ; Souza, Edson Leonardo Scarpa de ; Sampaio, Bruno S. ; Neves, João Pedro C. S ; Nascimento, Joel Leitão ; Alves, Tiago Vinicius ; Braga, Ataualpa Albert Carmo ; Correia, Carlos Roque Duarte
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: LIGANTES, SÍNTESE ORGÂNICA
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ABNT
SILVA, Vitor Hugo Menezes da et al. Intramolecular Heck-Matsuda reaction for the asymmetric synthesis of a spirobenzofuran using chiral N,N-Ligands: Experimental and theoretical insights into the catalytic cycle and enantioselectivity. Journal of Molecular Structure, v. 1346 n. 5, p. 1-11, 2025Tradução . . Disponível em: https://dx.doi.org/10.1016/j.molstruc.2025.143188. Acesso em: 28 nov. 2025.
APA
Silva, V. H. M. da, Souza, E. L. S. de, Sampaio, B. S., Neves, J. P. C. S., Nascimento, J. L., Alves, T. V., et al. (2025). Intramolecular Heck-Matsuda reaction for the asymmetric synthesis of a spirobenzofuran using chiral N,N-Ligands: Experimental and theoretical insights into the catalytic cycle and enantioselectivity. Journal of Molecular Structure, 1346 n. 5, 1-11. doi:10.1016/j.molstruc.2025.143188
NLM
Silva VHM da, Souza ELS de, Sampaio BS, Neves JPCS, Nascimento JL, Alves TV, Braga AAC, Correia CRD. Intramolecular Heck-Matsuda reaction for the asymmetric synthesis of a spirobenzofuran using chiral N,N-Ligands: Experimental and theoretical insights into the catalytic cycle and enantioselectivity [Internet]. Journal of Molecular Structure. 2025 ; 1346 n. 5 1-11.[citado 2025 nov. 28 ] Available from: https://dx.doi.org/10.1016/j.molstruc.2025.143188
Vancouver
Silva VHM da, Souza ELS de, Sampaio BS, Neves JPCS, Nascimento JL, Alves TV, Braga AAC, Correia CRD. Intramolecular Heck-Matsuda reaction for the asymmetric synthesis of a spirobenzofuran using chiral N,N-Ligands: Experimental and theoretical insights into the catalytic cycle and enantioselectivity [Internet]. Journal of Molecular Structure. 2025 ; 1346 n. 5 1-11.[citado 2025 nov. 28 ] Available from: https://dx.doi.org/10.1016/j.molstruc.2025.143188
Artigo de periodico
Palladium(II) and platinum(II) thiophene-based thiosemicarbazones: synthesis, properties, and anticancer studies (2025)
Oliveira, Gabriela Porto de; Lima, Mauro Almeida ; Pereira, George Bueno Santana; Costa, Analu Rocha ; Batista, Alzir Azevedo ; Forim, Moacir Rossi ; Cominetti, Márcia Regina ; Zanetti, Renan Diego; Farias, Renan Lira de ; Netto, Adelino Vieira de Godoy ; de Araujo Neto, João Honorato ; Ellena, Javier ; Moreno, Laura Olmedo ; Gonzalez, Vivian Capilla ; Rocha, Fillipe Vieira
Source: Journal of Molecular Structure. Unidades: IFSC, IQ
Subjects: ANTINEOPLÁSICOS, DNA, CITOTOXINAS
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ABNT
OLIVEIRA, Gabriela Porto de et al. Palladium(II) and platinum(II) thiophene-based thiosemicarbazones: synthesis, properties, and anticancer studies. Journal of Molecular Structure, v. 1322, p. 140306-1-140306-12 + supplementary materials, 2025Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2024.140306. Acesso em: 28 nov. 2025.
APA
Oliveira, G. P. de, Lima, M. A., Pereira, G. B. S., Costa, A. R., Batista, A. A., Forim, M. R., et al. (2025). Palladium(II) and platinum(II) thiophene-based thiosemicarbazones: synthesis, properties, and anticancer studies. Journal of Molecular Structure, 1322, 140306-1-140306-12 + supplementary materials. doi:10.1016/j.molstruc.2024.140306
NLM
Oliveira GP de, Lima MA, Pereira GBS, Costa AR, Batista AA, Forim MR, Cominetti MR, Zanetti RD, Farias RL de, Netto AV de G, de Araujo Neto JH, Ellena J, Moreno LO, Gonzalez VC, Rocha FV. Palladium(II) and platinum(II) thiophene-based thiosemicarbazones: synthesis, properties, and anticancer studies [Internet]. Journal of Molecular Structure. 2025 ; 1322 140306-1-140306-12 + supplementary materials.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2024.140306
Vancouver
Oliveira GP de, Lima MA, Pereira GBS, Costa AR, Batista AA, Forim MR, Cominetti MR, Zanetti RD, Farias RL de, Netto AV de G, de Araujo Neto JH, Ellena J, Moreno LO, Gonzalez VC, Rocha FV. Palladium(II) and platinum(II) thiophene-based thiosemicarbazones: synthesis, properties, and anticancer studies [Internet]. Journal of Molecular Structure. 2025 ; 1322 140306-1-140306-12 + supplementary materials.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2024.140306
Artigo de periodico
Synthesis, characterization of europium(III) and terbium(III) complexes containing lawsone ligand and their interaction with DNA, HSA, and topoisomerases (2025)
Rocha, Josias da Silveira; Pereira, George Bueno Santana; Mello, Marcos Vinícius Palmeira de ; Oliveira, Willyan Farias; Dutra, Jocely de Lucena ; Teixeira, Tamara; Silva, Nádija Natalice Paixão da; Oliveira, Gabriela Porto de; Gomes Junior, Paulo Cardoso; Passaes, Anna Carolina Silva de Jesus; de Araujo Neto, João Honorato ; Batista, Alzir Azevedo ; Ellena, Javier ; Dutra, José Diogo Lisboa ; Farias, Renan Lira de ; Rocha, Fillipe Vieira
Source: Journal of Molecular Structure. Unidades: IQ, IFSC
Subjects: DNA, CRISTALOGRAFIA, ESPECTROSCOPIA
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ABNT
ROCHA, Josias da Silveira et al. Synthesis, characterization of europium(III) and terbium(III) complexes containing lawsone ligand and their interaction with DNA, HSA, and topoisomerases. Journal of Molecular Structure, v. 1333, p. 141790-1-141790-13 + supplementary materials, 2025Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2025.141790. Acesso em: 28 nov. 2025.
APA
Rocha, J. da S., Pereira, G. B. S., Mello, M. V. P. de, Oliveira, W. F., Dutra, J. de L., Teixeira, T., et al. (2025). Synthesis, characterization of europium(III) and terbium(III) complexes containing lawsone ligand and their interaction with DNA, HSA, and topoisomerases. Journal of Molecular Structure, 1333, 141790-1-141790-13 + supplementary materials. doi:10.1016/j.molstruc.2025.141790
NLM
Rocha J da S, Pereira GBS, Mello MVP de, Oliveira WF, Dutra J de L, Teixeira T, Silva NNP da, Oliveira GP de, Gomes Junior PC, Passaes ACS de J, de Araujo Neto JH, Batista AA, Ellena J, Dutra JDL, Farias RL de, Rocha FV. Synthesis, characterization of europium(III) and terbium(III) complexes containing lawsone ligand and their interaction with DNA, HSA, and topoisomerases [Internet]. Journal of Molecular Structure. 2025 ; 1333 141790-1-141790-13 + supplementary materials.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2025.141790
Vancouver
Rocha J da S, Pereira GBS, Mello MVP de, Oliveira WF, Dutra J de L, Teixeira T, Silva NNP da, Oliveira GP de, Gomes Junior PC, Passaes ACS de J, de Araujo Neto JH, Batista AA, Ellena J, Dutra JDL, Farias RL de, Rocha FV. Synthesis, characterization of europium(III) and terbium(III) complexes containing lawsone ligand and their interaction with DNA, HSA, and topoisomerases [Internet]. Journal of Molecular Structure. 2025 ; 1333 141790-1-141790-13 + supplementary materials.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2025.141790
Artigo de periodico
Unveiling the electronic and molecular structure of a trinuclear ruthenium cluster containing one nitrosyl ligand (2024)
Batista, Ana Paula de Lima ; Pavan, Jamile Rocha; Ribeiro, Marcos Antônio; Nikolaou, Sofia
Source: Journal of Molecular Structure. Unidade: FFCLRP
Subjects: RUTÊNIO, LIGANTES, QUÍMICA INORGÂNICA, ÓXIDO NÍTRICO
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ABNT
BATISTA, Ana Paula de Lima et al. Unveiling the electronic and molecular structure of a trinuclear ruthenium cluster containing one nitrosyl ligand. Journal of Molecular Structure, v. 1308, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2024.138119. Acesso em: 28 nov. 2025.
APA
Batista, A. P. de L., Pavan, J. R., Ribeiro, M. A., & Nikolaou, S. (2024). Unveiling the electronic and molecular structure of a trinuclear ruthenium cluster containing one nitrosyl ligand. Journal of Molecular Structure, 1308. doi:10.1016/j.molstruc.2024.138119
NLM
Batista AP de L, Pavan JR, Ribeiro MA, Nikolaou S. Unveiling the electronic and molecular structure of a trinuclear ruthenium cluster containing one nitrosyl ligand [Internet]. Journal of Molecular Structure. 2024 ; 1308[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2024.138119
Vancouver
Batista AP de L, Pavan JR, Ribeiro MA, Nikolaou S. Unveiling the electronic and molecular structure of a trinuclear ruthenium cluster containing one nitrosyl ligand [Internet]. Journal of Molecular Structure. 2024 ; 1308[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2024.138119
Artigo de periodico
NMR and X-ray diffraction conformational study of guanidines (2024)
Zampieri, Eduardo Henrique ; Anjos, Luana Ribeiro dos ; Santiago, Pedro Henrique de Oliveira ; Nascimento, Tainara Rosário da Silva ; Ellena, Javier ; González, Eduardo René Pérez
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: RESSONÂNCIA MAGNÉTICA NUCLEAR, LEISHMANIA, DOENÇAS NEGLIGENCIADAS
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ABNT
ZAMPIERI, Eduardo Henrique et al. NMR and X-ray diffraction conformational study of guanidines. Journal of Molecular Structure, v. No 2024, p. 138876-1-138876-10 + supplementary materials, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2024.138876. Acesso em: 28 nov. 2025.
APA
Zampieri, E. H., Anjos, L. R. dos, Santiago, P. H. de O., Nascimento, T. R. da S., Ellena, J., & González, E. R. P. (2024). NMR and X-ray diffraction conformational study of guanidines. Journal of Molecular Structure, No 2024, 138876-1-138876-10 + supplementary materials. doi:10.1016/j.molstruc.2024.138876
NLM
Zampieri EH, Anjos LR dos, Santiago PH de O, Nascimento TR da S, Ellena J, González ERP. NMR and X-ray diffraction conformational study of guanidines [Internet]. Journal of Molecular Structure. 2024 ; No 2024 138876-1-138876-10 + supplementary materials.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2024.138876
Vancouver
Zampieri EH, Anjos LR dos, Santiago PH de O, Nascimento TR da S, Ellena J, González ERP. NMR and X-ray diffraction conformational study of guanidines [Internet]. Journal of Molecular Structure. 2024 ; No 2024 138876-1-138876-10 + supplementary materials.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2024.138876
Artigo de periodico
Photophysical properties of 3-arylthioimidazo[1,2-a]pyridine derivatives: the role of peripheral electron-donating and electron-withdrawing groups in the advance of organic materials engineering (2024)
Cocca, Leandro Henrique Zucolotto ; Valverde, João Victor Pereira; Bescont, Julie le; Breton-Patient, Chloé; Piguel, Sandrine ; Silva, Daniel Luiz da; Mendonça, Cleber Renato ; De Boni, Leonardo
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: ÓPTICA, FLUORESCÊNCIA, PROPRIEDADES ÓPTICAS DA SOLUÇÃO
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ABNT
COCCA, Leandro Henrique Zucolotto et al. Photophysical properties of 3-arylthioimidazo[1,2-a]pyridine derivatives: the role of peripheral electron-donating and electron-withdrawing groups in the advance of organic materials engineering. Journal of Molecular Structure, v. 1300, p. 137221-1-137221-9, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.137221. Acesso em: 28 nov. 2025.
APA
Cocca, L. H. Z., Valverde, J. V. P., Bescont, J. le, Breton-Patient, C., Piguel, S., Silva, D. L. da, et al. (2024). Photophysical properties of 3-arylthioimidazo[1,2-a]pyridine derivatives: the role of peripheral electron-donating and electron-withdrawing groups in the advance of organic materials engineering. Journal of Molecular Structure, 1300, 137221-1-137221-9. doi:10.1016/j.molstruc.2023.137221
NLM
Cocca LHZ, Valverde JVP, Bescont J le, Breton-Patient C, Piguel S, Silva DL da, Mendonça CR, De Boni L. Photophysical properties of 3-arylthioimidazo[1,2-a]pyridine derivatives: the role of peripheral electron-donating and electron-withdrawing groups in the advance of organic materials engineering [Internet]. Journal of Molecular Structure. 2024 ; 1300 137221-1-137221-9.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2023.137221
Vancouver
Cocca LHZ, Valverde JVP, Bescont J le, Breton-Patient C, Piguel S, Silva DL da, Mendonça CR, De Boni L. Photophysical properties of 3-arylthioimidazo[1,2-a]pyridine derivatives: the role of peripheral electron-donating and electron-withdrawing groups in the advance of organic materials engineering [Internet]. Journal of Molecular Structure. 2024 ; 1300 137221-1-137221-9.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2023.137221
Artigo de periodico
Imines and their metal complexes as active drugs against chagas disease: a review in recent years and analyses of in silico properties (2024)
França, Igor Vinicius de; Döring, Thiago Henrique ; Oliveira Neto, Francisco Martins de; Pedroso, Maria Júlia; Cruz Júnior, José Wilmo da
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: DOENÇA DE CHAGAS, TRYPANOSOMA CRUZI, FÁRMACOS, PLANEJAMENTO DE FÁRMACOS
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ABNT
FRANÇA, Igor Vinicius de et al. Imines and their metal complexes as active drugs against chagas disease: a review in recent years and analyses of in silico properties. Journal of Molecular Structure, v. 1314, p. 138725-1-138725-18, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2024.138725. Acesso em: 28 nov. 2025.
APA
França, I. V. de, Döring, T. H., Oliveira Neto, F. M. de, Pedroso, M. J., & Cruz Júnior, J. W. da. (2024). Imines and their metal complexes as active drugs against chagas disease: a review in recent years and analyses of in silico properties. Journal of Molecular Structure, 1314, 138725-1-138725-18. doi:10.1016/j.molstruc.2024.138725
NLM
França IV de, Döring TH, Oliveira Neto FM de, Pedroso MJ, Cruz Júnior JW da. Imines and their metal complexes as active drugs against chagas disease: a review in recent years and analyses of in silico properties [Internet]. Journal of Molecular Structure. 2024 ; 1314 138725-1-138725-18.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2024.138725
Vancouver
França IV de, Döring TH, Oliveira Neto FM de, Pedroso MJ, Cruz Júnior JW da. Imines and their metal complexes as active drugs against chagas disease: a review in recent years and analyses of in silico properties [Internet]. Journal of Molecular Structure. 2024 ; 1314 138725-1-138725-18.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2024.138725
Artigo de periodico
SC-XRD structural characterization, insights of key electronic, and nonlinear optical properties of dimethoxybenzenesulfonate crystals: a combine experimental and DFT approach (2024)
Arshad, Muhammad Nadeem ; khalid, Muhammad; Sheikh, Tahir Ali ; Asad, Mohammad ; Alzahrani, Khalid A; Marwani, Hadi M; Braga, Ataualpa Albert Carmo
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: ÓPTICA NÃO LINEAR, CLORETO, BENZENO
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ABNT
ARSHAD, Muhammad Nadeem et al. SC-XRD structural characterization, insights of key electronic, and nonlinear optical properties of dimethoxybenzenesulfonate crystals: a combine experimental and DFT approach. Journal of Molecular Structure, v. 1314, p. 1-17 art. 138696, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.molstruc.2024.138696. Acesso em: 28 nov. 2025.
APA
Arshad, M. N., khalid, M., Sheikh, T. A., Asad, M., Alzahrani, K. A., Marwani, H. M., & Braga, A. A. C. (2024). SC-XRD structural characterization, insights of key electronic, and nonlinear optical properties of dimethoxybenzenesulfonate crystals: a combine experimental and DFT approach. Journal of Molecular Structure, 1314, 1-17 art. 138696. doi:10.1016/j.molstruc.2024.138696
NLM
Arshad MN, khalid M, Sheikh TA, Asad M, Alzahrani KA, Marwani HM, Braga AAC. SC-XRD structural characterization, insights of key electronic, and nonlinear optical properties of dimethoxybenzenesulfonate crystals: a combine experimental and DFT approach [Internet]. Journal of Molecular Structure. 2024 ; 1314 1-17 art. 138696.[citado 2025 nov. 28 ] Available from: https://dx.doi.org/10.1016/j.molstruc.2024.138696
Vancouver
Arshad MN, khalid M, Sheikh TA, Asad M, Alzahrani KA, Marwani HM, Braga AAC. SC-XRD structural characterization, insights of key electronic, and nonlinear optical properties of dimethoxybenzenesulfonate crystals: a combine experimental and DFT approach [Internet]. Journal of Molecular Structure. 2024 ; 1314 1-17 art. 138696.[citado 2025 nov. 28 ] Available from: https://dx.doi.org/10.1016/j.molstruc.2024.138696
Artigo de periodico
Molecular structure determination of Nickel(II) isomers bearing bis(thiosemicarbazone) ligands: X-ray, DFT calculations and kinetic groundwork (2024)
Lima, Raíza F. X.; Oliveira, Danilo A.; Prado, Cássio R. A. do; Siqueira Jr, Josè R.; Deflon, Victor Marcelo ; Hagenbach, Adelhaid; Abram, Ulrich; Machado, Antonio E. da Hora; Bogado, André L.; Maia, Pedro I. S.
Source: Journal of Molecular Structure. Unidade: IQSC
Subjects: ISÔMERO, NÍQUEL
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ABNT
LIMA, Raíza F. X. et al. Molecular structure determination of Nickel(II) isomers bearing bis(thiosemicarbazone) ligands: X-ray, DFT calculations and kinetic groundwork. Journal of Molecular Structure, v. 1295, p. 136738, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.136738. Acesso em: 28 nov. 2025.
APA
Lima, R. F. X., Oliveira, D. A., Prado, C. R. A. do, Siqueira Jr, J. R., Deflon, V. M., Hagenbach, A., et al. (2024). Molecular structure determination of Nickel(II) isomers bearing bis(thiosemicarbazone) ligands: X-ray, DFT calculations and kinetic groundwork. Journal of Molecular Structure, 1295, 136738. doi:10.1016/j.molstruc.2023.136738
NLM
Lima RFX, Oliveira DA, Prado CRA do, Siqueira Jr JR, Deflon VM, Hagenbach A, Abram U, Machado A E da H, Bogado AL, Maia PIS. Molecular structure determination of Nickel(II) isomers bearing bis(thiosemicarbazone) ligands: X-ray, DFT calculations and kinetic groundwork [Internet]. Journal of Molecular Structure. 2024 ;1295 136738.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2023.136738
Vancouver
Lima RFX, Oliveira DA, Prado CRA do, Siqueira Jr JR, Deflon VM, Hagenbach A, Abram U, Machado A E da H, Bogado AL, Maia PIS. Molecular structure determination of Nickel(II) isomers bearing bis(thiosemicarbazone) ligands: X-ray, DFT calculations and kinetic groundwork [Internet]. Journal of Molecular Structure. 2024 ;1295 136738.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2023.136738
Artigo de periodico
Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies (2023)
Ahmed, Adnan; Adeel, Muhammad; Khan, Ilham; Khalid, Muhammad ; Raouf, Abdul; Aiman, Ume; Villinger, Alexander ; Braga, Ataualpa Albert Carmo ; Assiri, Mohammed A; Imran, Muhammad
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: ESPECTROSCOPIA, DIFRAÇÃO POR RAIOS X
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
AHMED, Adnan et al. Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies. Journal of Molecular Structure, v. 1273, p. 1-12 art. 134236, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2022.134236. Acesso em: 28 nov. 2025.
APA
Ahmed, A., Adeel, M., Khan, I., Khalid, M., Raouf, A., Aiman, U., et al. (2023). Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies. Journal of Molecular Structure, 1273, 1-12 art. 134236. doi:10.1016/j.molstruc.2022.134236
NLM
Ahmed A, Adeel M, Khan I, Khalid M, Raouf A, Aiman U, Villinger A, Braga AAC, Assiri MA, Imran M. Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies [Internet]. Journal of Molecular Structure. 2023 ; 1273 1-12 art. 134236.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134236
Vancouver
Ahmed A, Adeel M, Khan I, Khalid M, Raouf A, Aiman U, Villinger A, Braga AAC, Assiri MA, Imran M. Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies [Internet]. Journal of Molecular Structure. 2023 ; 1273 1-12 art. 134236.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134236
Artigo de periodico
Efficient synthesis of nicotinaldehyde-based crystalline organic derivatives: Comparative analysis between experimental and DFT study (2023)
Hussain, Shahid; Adeel, Muhammad; Khalid, Muhammad ; Aiman, Ume; Villinger, Alexander ; Braga, Ataualpa Albert Carmo ; Alshehri, Saad M ; Asghar, Muhammad Adnan
Source: Journal of Molecular Structure. Unidade: IQ
Assunto: QUÍMICA QUÂNTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
HUSSAIN, Shahid et al. Efficient synthesis of nicotinaldehyde-based crystalline organic derivatives: Comparative analysis between experimental and DFT study. Journal of Molecular Structure, v. 1290, p. 1-12 art. 135948, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.135948. Acesso em: 28 nov. 2025.
APA
Hussain, S., Adeel, M., Khalid, M., Aiman, U., Villinger, A., Braga, A. A. C., et al. (2023). Efficient synthesis of nicotinaldehyde-based crystalline organic derivatives: Comparative analysis between experimental and DFT study. Journal of Molecular Structure, 1290, 1-12 art. 135948. doi:10.1016/j.molstruc.2023.135948
NLM
Hussain S, Adeel M, Khalid M, Aiman U, Villinger A, Braga AAC, Alshehri SM, Asghar MA. Efficient synthesis of nicotinaldehyde-based crystalline organic derivatives: Comparative analysis between experimental and DFT study [Internet]. Journal of Molecular Structure. 2023 ; 1290 1-12 art. 135948.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135948
Vancouver
Hussain S, Adeel M, Khalid M, Aiman U, Villinger A, Braga AAC, Alshehri SM, Asghar MA. Efficient synthesis of nicotinaldehyde-based crystalline organic derivatives: Comparative analysis between experimental and DFT study [Internet]. Journal of Molecular Structure. 2023 ; 1290 1-12 art. 135948.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135948
Artigo de periodico
The free hydralazine anti-hypertensive drug and new salts with improved solubility (2023)
Firmino, Pollyana Pereira ; Santiago, Pedro Henrique de Oliveira; Silva, Cecília Carolina Pinheiro da ; Honorato, João ; Ellena, Javier
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: HIPERTENSÃO, PLANEJAMENTO DE FÁRMACOS, SOLUBILIDADE, CRISTALOGRAFIA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
FIRMINO, Pollyana Pereira et al. The free hydralazine anti-hypertensive drug and new salts with improved solubility. Journal of Molecular Structure, v. No 2023, p. 136075-1-136075-11, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.136075. Acesso em: 28 nov. 2025.
APA
Firmino, P. P., Santiago, P. H. de O., Silva, C. C. P. da, Honorato, J., & Ellena, J. (2023). The free hydralazine anti-hypertensive drug and new salts with improved solubility. Journal of Molecular Structure, No 2023, 136075-1-136075-11. doi:10.1016/j.molstruc.2023.136075
NLM
Firmino PP, Santiago PH de O, Silva CCP da, Honorato J, Ellena J. The free hydralazine anti-hypertensive drug and new salts with improved solubility [Internet]. Journal of Molecular Structure. 2023 ; No 2023 136075-1-136075-11.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2023.136075
Vancouver
Firmino PP, Santiago PH de O, Silva CCP da, Honorato J, Ellena J. The free hydralazine anti-hypertensive drug and new salts with improved solubility [Internet]. Journal of Molecular Structure. 2023 ; No 2023 136075-1-136075-11.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2023.136075
Artigo de periodico
Palladium (II) complexes as inhibitors of cathepsin B and topoisomerase I beta: synthesis, characterization, and cytotoxicity (2023)
Akinyemi, Amos Olalekan; Pereira, George Bueno Santana; Oliveira, Gabriela Porto de; Lima, Mauro Almeida; Rocha, Josias da Silveira; Costa, Vinicius Alves; Fortaleza, Dario Batista ; Teixeira, Tamara; Zanotti, Karine; Forim, Moacir Rossi ; Honorato, João ; Ellena, Javier ; Rocha, Fillipe Vieira
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: PALÁDIO, CITOTOXINAS, DNA, CRISTALOGRAFIA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
AKINYEMI, Amos Olalekan et al. Palladium (II) complexes as inhibitors of cathepsin B and topoisomerase I beta: synthesis, characterization, and cytotoxicity. Journal of Molecular Structure, v. 1294, p. 136460-1-136460-14 + supplementary materials, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.136460. Acesso em: 28 nov. 2025.
APA
Akinyemi, A. O., Pereira, G. B. S., Oliveira, G. P. de, Lima, M. A., Rocha, J. da S., Costa, V. A., et al. (2023). Palladium (II) complexes as inhibitors of cathepsin B and topoisomerase I beta: synthesis, characterization, and cytotoxicity. Journal of Molecular Structure, 1294, 136460-1-136460-14 + supplementary materials. doi:10.1016/j.molstruc.2023.136460
NLM
Akinyemi AO, Pereira GBS, Oliveira GP de, Lima MA, Rocha J da S, Costa VA, Fortaleza DB, Teixeira T, Zanotti K, Forim MR, Honorato J, Ellena J, Rocha FV. Palladium (II) complexes as inhibitors of cathepsin B and topoisomerase I beta: synthesis, characterization, and cytotoxicity [Internet]. Journal of Molecular Structure. 2023 ; 1294 136460-1-136460-14 + supplementary materials.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2023.136460
Vancouver
Akinyemi AO, Pereira GBS, Oliveira GP de, Lima MA, Rocha J da S, Costa VA, Fortaleza DB, Teixeira T, Zanotti K, Forim MR, Honorato J, Ellena J, Rocha FV. Palladium (II) complexes as inhibitors of cathepsin B and topoisomerase I beta: synthesis, characterization, and cytotoxicity [Internet]. Journal of Molecular Structure. 2023 ; 1294 136460-1-136460-14 + supplementary materials.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2023.136460
Artigo de periodico
Spectroscopic characterization and quantum-chemical analysis of hydrazinyl thiazol-4(5H)-one functionalized materials to predict their key electronic and non-linear optical behavior (2023)
Mehmood, Hasnain; Akhtar, Tashfeen ; Haroon, Muhammad; Khalid, Muhammad; Braga, Ataualpa Albert Carmo ; Woodward, Simon; Alshehri, Saad M; Asghar, Muhammad Adnan
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: ESPECTROSCOPIA, COMPOSTOS ORGÂNICOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
MEHMOOD, Hasnain et al. Spectroscopic characterization and quantum-chemical analysis of hydrazinyl thiazol-4(5H)-one functionalized materials to predict their key electronic and non-linear optical behavior. Journal of Molecular Structure, v. 1288, p. 1-13 art. 135798, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.135798. Acesso em: 28 nov. 2025.
APA
Mehmood, H., Akhtar, T., Haroon, M., Khalid, M., Braga, A. A. C., Woodward, S., et al. (2023). Spectroscopic characterization and quantum-chemical analysis of hydrazinyl thiazol-4(5H)-one functionalized materials to predict their key electronic and non-linear optical behavior. Journal of Molecular Structure, 1288, 1-13 art. 135798. doi:10.1016/j.molstruc.2023.135798
NLM
Mehmood H, Akhtar T, Haroon M, Khalid M, Braga AAC, Woodward S, Alshehri SM, Asghar MA. Spectroscopic characterization and quantum-chemical analysis of hydrazinyl thiazol-4(5H)-one functionalized materials to predict their key electronic and non-linear optical behavior [Internet]. Journal of Molecular Structure. 2023 ; 1288 1-13 art. 135798.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135798
Vancouver
Mehmood H, Akhtar T, Haroon M, Khalid M, Braga AAC, Woodward S, Alshehri SM, Asghar MA. Spectroscopic characterization and quantum-chemical analysis of hydrazinyl thiazol-4(5H)-one functionalized materials to predict their key electronic and non-linear optical behavior [Internet]. Journal of Molecular Structure. 2023 ; 1288 1-13 art. 135798.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135798
Artigo de periodico
Molecular structure of Ru(II)/diphosphine/4,6-dimethyl-2-pyrimidinethiol complexes: a combined experimental and density functional theory study (2023)
Lima, Benedicto Augusto Vieira ; Varela Junior, Jaldyr de Jesus Gomes ; Ellena, Javier ; Batista, Alzir Azevedo ; Silva, Alberico Borges Ferreira da ; Correa, Rodrigo de Souza
Source: Journal of Molecular Structure. Unidades: IFSC, IQSC
Subjects: RUTÊNIO, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA)
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
LIMA, Benedicto Augusto Vieira et al. Molecular structure of Ru(II)/diphosphine/4,6-dimethyl-2-pyrimidinethiol complexes: a combined experimental and density functional theory study. Journal of Molecular Structure, v. 1282, p. 135234-1-135234-12, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.135234. Acesso em: 28 nov. 2025.
APA
Lima, B. A. V., Varela Junior, J. de J. G., Ellena, J., Batista, A. A., Silva, A. B. F. da, & Correa, R. de S. (2023). Molecular structure of Ru(II)/diphosphine/4,6-dimethyl-2-pyrimidinethiol complexes: a combined experimental and density functional theory study. Journal of Molecular Structure, 1282, 135234-1-135234-12. doi:10.1016/j.molstruc.2023.135234
NLM
Lima BAV, Varela Junior J de JG, Ellena J, Batista AA, Silva ABF da, Correa R de S. Molecular structure of Ru(II)/diphosphine/4,6-dimethyl-2-pyrimidinethiol complexes: a combined experimental and density functional theory study [Internet]. Journal of Molecular Structure. 2023 ; 1282 135234-1-135234-12.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135234
Vancouver
Lima BAV, Varela Junior J de JG, Ellena J, Batista AA, Silva ABF da, Correa R de S. Molecular structure of Ru(II)/diphosphine/4,6-dimethyl-2-pyrimidinethiol complexes: a combined experimental and density functional theory study [Internet]. Journal of Molecular Structure. 2023 ; 1282 135234-1-135234-12.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135234
Artigo de periodico
Casting light on synthetic, SC-XRD and quantum mechanical studies for 2,1-benzothiazine based bis-adducts (2023)
Ahmad, Shakeel; Ahmad, Matloob ; Khalid, Muhammad ; Shafiq, Muhammad; Arshad, Muhammad Nadeem ; Sultan, Sadia; Asiri, Abdullah M ; Braga, Ataualpa Albert Carmo ; Alamry, Khalid A
Source: Journal of Molecular Structure. Unidade: IQ
Assunto: MECÂNICA QUÂNTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
AHMAD, Shakeel et al. Casting light on synthetic, SC-XRD and quantum mechanical studies for 2,1-benzothiazine based bis-adducts. Journal of Molecular Structure, v. 1272, p. 1-11, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2022.134193. Acesso em: 28 nov. 2025.
APA
Ahmad, S., Ahmad, M., Khalid, M., Shafiq, M., Arshad, M. N., Sultan, S., et al. (2023). Casting light on synthetic, SC-XRD and quantum mechanical studies for 2,1-benzothiazine based bis-adducts. Journal of Molecular Structure, 1272, 1-11. doi:10.1016/j.molstruc.2022.134193
NLM
Ahmad S, Ahmad M, Khalid M, Shafiq M, Arshad MN, Sultan S, Asiri AM, Braga AAC, Alamry KA. Casting light on synthetic, SC-XRD and quantum mechanical studies for 2,1-benzothiazine based bis-adducts [Internet]. Journal of Molecular Structure. 2023 ; 1272 1-11.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134193
Vancouver
Ahmad S, Ahmad M, Khalid M, Shafiq M, Arshad MN, Sultan S, Asiri AM, Braga AAC, Alamry KA. Casting light on synthetic, SC-XRD and quantum mechanical studies for 2,1-benzothiazine based bis-adducts [Internet]. Journal of Molecular Structure. 2023 ; 1272 1-11.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134193
Artigo de periodico
Structure and in vitro antimicrobial activity of sulfamethoxazole and sulfadiazine polyiodide salts (2023)
Oliveira, Carlos Henrique de Moura; Honorato, João ; Ellena, Javier ; Oliver, Josidel Conceição; Dias, Amanda Latercia Tranches; Caldas, Ivo Santana ; Doriguetto, Antonio Carlos
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: AGENTES ANTIMICROBIANOS, SULFONAMIDAS, SOLUBILIDADE, CRISTALOGRAFIA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
OLIVEIRA, Carlos Henrique de Moura et al. Structure and in vitro antimicrobial activity of sulfamethoxazole and sulfadiazine polyiodide salts. Journal of Molecular Structure, v. 1282, p. 135199-1-135199-15 + supplementary materials, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.135199. Acesso em: 28 nov. 2025.
APA
Oliveira, C. H. de M., Honorato, J., Ellena, J., Oliver, J. C., Dias, A. L. T., Caldas, I. S., & Doriguetto, A. C. (2023). Structure and in vitro antimicrobial activity of sulfamethoxazole and sulfadiazine polyiodide salts. Journal of Molecular Structure, 1282, 135199-1-135199-15 + supplementary materials. doi:10.1016/j.molstruc.2023.135199
NLM
Oliveira CH de M, Honorato J, Ellena J, Oliver JC, Dias ALT, Caldas IS, Doriguetto AC. Structure and in vitro antimicrobial activity of sulfamethoxazole and sulfadiazine polyiodide salts [Internet]. Journal of Molecular Structure. 2023 ; 1282 135199-1-135199-15 + supplementary materials.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135199
Vancouver
Oliveira CH de M, Honorato J, Ellena J, Oliver JC, Dias ALT, Caldas IS, Doriguetto AC. Structure and in vitro antimicrobial activity of sulfamethoxazole and sulfadiazine polyiodide salts [Internet]. Journal of Molecular Structure. 2023 ; 1282 135199-1-135199-15 + supplementary materials.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135199

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