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Material Type: Artigo
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Orbital Analysis of Carbon‐13 Chemical Shift Tensors Reveals Patterns to Distinguish Fischer and Schrock CarbenesYamamoto, Keishi ; Gordon, Christopher P. ; Liao, Wei‐Chih ; Copéret, Christophe ; Raynaud, Christophe ; Eisenstein, OdileAngewandte Chemie (International ed.), 2017-08, Vol.56 (34), p.10127-10131 [Periódico revisado por pares]Germany: Wiley Subscription Services, IncTexto completo disponível |
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Material Type: Artigo
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Simulation of oriented NMR spectra: Combining molecular dynamics and chemical shift tensor calculationsSternberg, Ulrich ; Witter, RaikerMagnetic resonance in chemistry, 2024-03, Vol.62 (3), p.125-144 [Periódico revisado por pares]England: Wiley Subscription Services, IncTexto completo disponível |
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Material Type: Artigo
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Neomacrophorin and premacrophorin congeners from Trichoderma sp. 1212-03Nishiyama, Mami ; Maeda, Hayato ; Tonouchi, Akio ; Hashimoto, MasaruTetrahedron, 2019-05, Vol.75 (22), p.2993-3000 [Periódico revisado por pares]Elsevier LtdTexto completo disponível |
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Material Type: Artigo
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Compressing a Non‐Planar Aromatic Heterocyclic [7]Helicene to a Planar Hetero[8]CirculeneLousen, Bodil ; Pedersen, Stephan K. ; Bols, Pernille ; Hansen, Kasper H. ; Pedersen, Michelle R. ; Hammerich, Ole ; Bondarchuk, Sergey ; Minaev, Boris ; Baryshnikov, Glib V. ; Ågren, Hans ; Pittelkow, MichaelChemistry : a European journal, 2020-04, Vol.26 (22), p.4935-4940 [Periódico revisado por pares]GermanyTexto completo disponível |
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Material Type: Artigo
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Preferred intermolecular cation···anion interactions within the [EMIM][DCA] ionic liquid and its interaction with a water co-solvent moleculeKabanda, Mwadham M. ; Bahadur, IndraJournal of molecular liquids, 2023-07, Vol.381, p.121804, Article 121804 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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Material Type: Artigo
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On the performance of some aromaticity indices: A critical assessment using a test setFeixas, Ferran ; Matito, Eduard ; Poater, Jordi ; Solà, MiquelJournal of computational chemistry, 2008-07, Vol.29 (10), p.1543-1554 [Periódico revisado por pares]Hoboken: Wiley Subscription Services, Inc., A Wiley CompanyTexto completo disponível |
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Material Type: Artigo
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Structural Studies of Monounsaturated and ω-3 Polyunsaturated Free Fatty Acids in Solution with the Combined Use οf NMR and DFT Calculations—Comparison with the Liquid StateVenianakis, Themistoklis ; Siskos, Michael G. ; Papamokos, George ; Gerothanassis, Ioannis P.Molecules (Basel, Switzerland), 2023-08, Vol.28 (16), p.6144 [Periódico revisado por pares]Basel: MDPI AGTexto completo disponível |
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Material Type: Artigo
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A putative mechanism for capture of carbon dioxide by quartz, mediated by triboelectric chargingKnak Jensen, Svend J. ; Bregnhøj, Mikkel ; Thøgersen, Jan ; Nørnberg, Per ; Nielsen, Anders Bodholt ; Skibsted, Jørgen ; Finster, KaiChemical physics letters, 2023-04, Vol.816, p.140395, Article 140395 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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Material Type: Artigo
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Chemical shift tensor - the heart of NMR: Insights into biological aspects of proteinsSaitô, Hazime ; Ando, Isao ; Ramamoorthy, AyyalusamyProgress in nuclear magnetic resonance spectroscopy, 2010-08, Vol.57 (2), p.181-228 [Periódico revisado por pares]EnglandTexto completo disponível |
10 |
Material Type: Artigo
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A multi‐descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π‐Conjugation versus charge effectsChagas, Julio C. V. ; Milanez, Bruno D. ; Oliveira, Vytor P. ; Pinheiro Jr, Max ; Ferrão, Luiz F. A. ; Aquino, Adelia J. A. ; Lischka, Hans ; Machado, Francisco B. C.Journal of computational chemistry, 2024-05, Vol.45 (12), p.863-877 [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |