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Material Type: Artigo
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0–0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life CompoundsJacquemin, Denis ; Duchemin, Ivan ; Blase, XavierJournal of chemical theory and computation, 2015-11, Vol.11 (11), p.5340-5359 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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[001] Surface Structure in SrTiO3 — Atomistic StudyHeifets, Eugene ; Dorfman, Simon ; Fuks, David ; Kotomin, Eugene ; Gordon, AlexSurface review and letters, 1998-02, Vol.5 (1), p.341-345 [Periódico revisado por pares]World Scientific Publishing CompanyTexto completo disponível |
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Material Type: Artigo
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0.5 wt.% Pd/C catalyst for purification of terephthalic acid: Irreversible deactivation in industrial plantsPellegrini, R. ; Agostini, G. ; Groppo, E. ; Piovano, A. ; Leofanti, G. ; Lamberti, C.Journal of catalysis, 2011-06, Vol.280 (2), p.150-160 [Periódico revisado por pares]Amsterdam: Elsevier IncTexto completo disponível |
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Material Type: Artigo
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1,1- and 1,3-Diiodo Neopentanes on Pt(111): Intermediates during Hydrocarbon Catalytic Conversion ReactionsJanssens, Ton V.W. ; Zaera, FranciscoJournal of catalysis, 2002-06, Vol.208 (2), p.345-358 [Periódico revisado por pares]Amsterdam: Elsevier IncTexto completo disponível |
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Material Type: Artigo
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1,10-Phenanthroline-5,6-dione-bridged FeCo complexes: a DFT investigation of the electronic labilityStarikov, Andrey G. ; Starikova, Alyona A. ; Shapovalova, Svetlana O. ; Guda, Alexander A. ; Soldatov, Alexander V.Structural chemistry, 2023-08, Vol.34 (4), p.1279-1288 [Periódico revisado por pares]New York: Springer USTexto completo disponível |
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Material Type: Artigo
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1,10-Phenanthrolines derived from natural occurring ketones as ligands for asymmetric catalysis: enantioselective palladium catalyzed allylic substitutionChelucci, Giorgio ; Pinna, Gerard A ; Saba, Antonio ; Sanna, GianuarioJournal of molecular catalysis. A, Chemical, 2000-10, Vol.159 (2), p.423-427 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
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Material Type: Artigo
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1,1,4,4,7,7-hexamethylcyclononane : synthesis and crystal structureBINGER, P ; SCHÄFER, H ; GODDARD, RJ. Chem. Soc., Perkin Trans. 2, 1993 (4), p.633-634 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
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Material Type: Artigo
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1,2-Dichloroethene on Cu(1 1 0): Adsorption, dechlorination and trimerisation reactionsHaq, S. ; Laroze, S.C. ; Mitchell, C. ; Winterton, N. ; Raval, R.Journal of molecular catalysis. A, Chemical, 2009-06, Vol.305 (1), p.117-120 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
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Material Type: Artigo
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1,2,3- and 1,2,4-Benzenetricarboxylic ligands: investigation of unusual 2D and 3D polymeric nets with potassium ionFranco, Chris Hebert J. ; do Carmo, Weberton R. ; de Almeida, Filipe B. ; de Abreu, Heitor A. ; Diniz, RenataStructural chemistry, 2015-06, Vol.26 (3), p.773-783 [Periódico revisado por pares]Boston: Springer USTexto completo disponível |
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Material Type: Artigo
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1,2,3‐propanetriol radicals formed during oxidative stressDurlak, Piotr ; Jerzykiewicz, Maria ; Ćwieląg‐Piasecka, IrminaMagnetic resonance in chemistry, 2019-04, Vol.57 (4), p.S95-S100 [Periódico revisado por pares]England: Wiley Subscription Services, IncTexto completo disponível |