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1 |
Material Type: Artigo
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Experimental and computational studies on propanone derivatives of quinoxalin-6-yl-4,5-dihydropyrazole as inhibitors of mild steel corrosion in hydrochloric acidOlasunkanmi, Lukman O. ; Ebenso, Eno E.Journal of colloid and interface science, 2020-03, Vol.561, p.104-116 [Periódico revisado por pares]Texto completo disponível |
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2 |
Material Type: Artigo
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No Need for a Re-examination of the Electrostatic Notation of the Hydrogen Bonding: A CommentFrenking, Gernot ; Caramori, Giovanni F.Angewandte Chemie (International ed.), 2015-02, Vol.54 (9), p.2596-2599 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
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3 |
Material Type: Artigo
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Computational study of the solvation effect of supercritical water on o-phthalic acid decarboxylation by varying the solvent dielectric constantLegaspi, Anna Esperanza Quizon ; Fujita, Michiya ; Oshima, Yoshito ; Akizuki, MakotoThe Journal of supercritical fluids, 2024-06, Vol.208, Article 106214 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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4 |
Material Type: Artigo
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Cover Feature: Selective [2+1+1] Fragmentation of P4 by heteroleptic Metallasilylenes (Chem. Eur. J. 41/2022)Schoening, Juliane ; Gehlhaar, Alexander ; Wölper, Christoph ; Schulz, StephanChemistry : a European journal, 2022-07, Vol.28 (41), p.n/a [Periódico revisado por pares]Texto completo disponível |
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5 |
Material Type: Artigo
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Synthesis, characterization, DFT calculations and biological studies of Mn(II), Fe(II), Co(II) and Cd(II) complexes based on a tetradentate ONNO donor Schiff base ligandAbdel-Rahman, Laila H. ; Ismail, Nabawia M. ; Ismael, Mohamed ; Abu-Dief, Ahmed M. ; Ahmed, Ebtehal Abdel-HameedJournal of molecular structure, 2017-04, Vol.1134, p.851-862 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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6 |
Material Type: Artigo
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A computational study on corrosion inhibition performances of novel quinoline derivatives against the corrosion of ironErdoğan, Şaban ; Safi, Zaki S. ; Kaya, Savaş ; Işın, Dilara Özbakır ; Guo, Lei ; Kaya, CemalJournal of molecular structure, 2017-04, Vol.1134, p.751-761 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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7 |
Material Type: Artigo
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Improved General Understanding of the Hydrogen-Bonding Phenomena: A ReplyWeinhold, F. ; Klein, Roger A.Angewandte Chemie (International ed.), 2015-02, Vol.54 (9), p.2600-2602 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
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8 |
Material Type: Artigo
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Dual pathway reduction of Mo4+ and photogenerated electrons restore catalytic sites to enhance heterogeneous peroxymonosulfate activation systemLi, Jinyang ; Hu, Chunyan ; Liu, Baojiang ; Liu, ZhifengChemical engineering journal (Lausanne, Switzerland : 1996), 2023-01, Vol.452, p.139246, Article 139246 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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9 |
Material Type: Artigo
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autoCAS: A Program for Fully Automated Multiconfigurational CalculationsStein, Christopher J. ; Reiher, MarkusJournal of computational chemistry, 2019-09, Vol.40 (25), p.2216-2226 [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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10 |
Material Type: Artigo
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New carbazole-based organic dyes with different acceptors for dye-sensitized solar cells: Synthesis, characterization, dssc fabrications and density functional theory studiesAbusaif, Moustafa S. ; Fathy, M. ; Abu-Saied, M.A. ; Elhenawy, Ahmed A. ; Kashyout, A.B. ; Selim, Mohamed R. ; Ammar, Yousry A.Journal of molecular structure, 2021-02, Vol.1225, p.129297, Article 129297 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |