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1 |
Material Type: Artigo
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New polymorph of N-benzoyl-morpholine-4-carbothioamide with ten crystallographically independent molecules in the asymmetric unit: Crystal structure, Hirshfeld surface analysis and Density functional theory calculationsAziz, Hamid ; Saeed, Aamer ; Simpson, Jim ; Hökelek, Tuncer ; Jabeen, ErumJournal of molecular structure, 2025-02, Vol.1321, Article 139818 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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Material Type: Artigo
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Solvent polarity dependent photo-induced excited state intramolecular proton transfer for triphenylamine centered bis unsymmetrical azine (TPOV): A computational studyTang, Zhe ; Wang, Shuyue ; Wang, Xiaochen ; Fan, Binbin ; Wei, Qingfeng ; Zhao, JinfengJournal of molecular structure, 2025-01, Vol.1319, p.139474, Article 139474 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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Material Type: Artigo
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First principles study on interactions in inorganic molecular crystals at zero dimensionsRaza, Nimra Zaib ; Majid, Abdul ; Jabeen, Alia ; Haider, Sajjad ; Alam, KamranJournal of molecular structure, 2024-12, Vol.1317, p.139102, Article 139102 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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Material Type: Artigo
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Strong ferroelectricity in one-dimensional materials self-assembled by superatomic metal halide clustersGuo, Yu ; Zhao, Yang ; Ling, Qiao ; Zhou, Si ; Zhao, JijunFrontiers of physics, 2024-12, Vol.19 (6), p.63210 [Periódico revisado por pares]Beijing: Higher Education PressTexto completo disponível |
5 |
Material Type: Artigo
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Synthesis and structural elucidation of novel Bis-chalcone dyes: solvent/media effects, DNA binding, and molecular docking with their anticancer efficacyEl-Nahass, Marwa N. ; Hussein, Basma ; Fayed, Tarek A. ; El-Gamil, Mohammed M. ; Noser, Ahmed A.Chemical papers, 2024-12, Vol.78 (12), p.7055-7087 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
6 |
Material Type: Artigo
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Unveiling the Anti-convulsant Potential of Novel Series of 1,2,4-Triazine- 6H-Indolo[2,3-b]quinoline Derivatives: In Silico Molecular Docking, ADMET, DFT, and Molecular Dynamics ExplorationSingh, Hariram ; Pathak, DevenderCurrent computer-aided drug design, 2024-12, Vol.20 (6), p.822-834 [Periódico revisado por pares]Sharjah: Bentham Science PublishersTexto completo disponível |
7 |
Material Type: Artigo
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Colourful 3-amino-1,8-naphthalimide alkyl-substituted fluorescent derivativesJohnson, Alex D. ; Szaciłowski, Konrad ; Magri, David C.Dyes and pigments, 2024-12, Vol.231, p.112424, Article 112424 [Periódico revisado por pares]Elsevier LtdTexto completo disponível |
8 |
Material Type: Artigo
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An anthraquinone derivative for modulating the energy levels of polysulfide molecular orbitals to enhance the kinetics of redox reactionsGao, Ruili ; Wang, Hui ; You, Huijuan ; Ren, Jianwei ; Wang, Kunpeng ; Teng, Chao ; Wang, Xuyun ; Wang, RongfangJournal of alloys and compounds, 2024-11, Vol.1006, p.176275, Article 176275 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
9 |
Material Type: Artigo
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Experimental investigation and molecular reaction mechanism of methane/powdered coal deflagrations inhibited by neosynthetic fly-ash inhibitorsWang, Jiachen ; Li, Haitao ; Jiang, Xinsheng ; Li, Shanshan ; Diao, Shoutong ; Yao, Yihao ; Yu, MinggaoProcess safety and environmental protection, 2024-11, Vol.191, p.177-192 [Periódico revisado por pares]Elsevier LtdTexto completo disponível |
10 |
Material Type: Artigo
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Uncovering solvent-polarity-associated excited state behaviors for the novel PQ-BSD fluorophore: A theoretical studyPan, Jiaoni ; Ma, Muhan ; Chen, Jiahe ; Gao, Xiran ; Zhao, JinfengChemical physics letters, 2024-11, Vol.854, Article 141564 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |