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Conceptual density functional theory: status, prospects, issuesGeerlings, Paul ; Chamorro, Eduardo ; Chattaraj, Pratim Kumar ; De Proft, Frank ; Gázquez, José L. ; Liu, Shubin ; Morell, Christophe ; Toro-Labbé, Alejandro ; Vela, Alberto ; Ayers, PaulTheoretical chemistry accounts, 2020-02, Vol.139 (2), Article 36 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
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Material Type: Artigo
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Finite Size Effects in Chemical Bonding: From Small Clusters to SolidsKleis, J. ; Greeley, J. ; Romero, N. A. ; Morozov, V. A. ; Falsig, H. ; Larsen, A. H. ; Lu, J. ; Mortensen, J. J. ; Dułak, M. ; Thygesen, K. S. ; Nørskov, J. K. ; Jacobsen, K. W.Catalysis letters, 2011-08, Vol.141 (8), p.1067-1071 [Periódico revisado por pares]Boston: Springer USTexto completo disponível |
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An updated review of nanofluids in various heat transfer devicesOkonkwo, Eric C. ; Wole-Osho, Ifeoluwa ; Almanassra, Ismail W. ; Abdullatif, Yasser M. ; Al-Ansari, TareqJournal of thermal analysis and calorimetry, 2021-09, Vol.145 (6), p.2817-2872 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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Insights into the Nature of Eutectic and Deep Eutectic MixturesMartins, Mónia A. R. ; Pinho, Simão P. ; Coutinho, João A. P.Journal of solution chemistry, 2019-07, Vol.48 (7), p.962-982 [Periódico revisado por pares]New York: Springer USTexto completo disponível |
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Material Type: Artigo
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Revealing strong interactions with the reduced density gradient: a benchmark for covalent, ionic and charge-shift bondsBoto, Roberto A. ; Piquemal, Jean-Philip ; Contreras-García, JuliaTheoretical chemistry accounts, 2017-12, Vol.136 (12), p.1-9, Article 139 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
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Material Type: Artigo
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Effects of different shapes of nanoparticles on peristaltic flow of MHD nanofluids filled in an asymmetric channel: A novel mode for heat transfer enhancementKhan, Liaqat Ali ; Raza, Mohsin ; Mir, Nazir Ahmad ; Ellahi, RahmatJournal of thermal analysis and calorimetry, 2020-05, Vol.140 (3), p.879-890 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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A simple method of identifying π orbitals for non-planar systems and a protocol of studying π electronic structureLu, Tian ; Chen, QinxueTheoretical chemistry accounts, 2020-02, Vol.139 (2), Article 25 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
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Material Type: Artigo
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Recent Trends on the Dehydrogenation Catalysis of Liquid Organic Hydrogen Carrier (LOHC): A ReviewSekine, Yasushi ; Higo, TakumaTopics in catalysis, 2021-07, Vol.64 (7-8), p.470-480 [Periódico revisado por pares]New York: Springer USTexto completo disponível |
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Material Type: Artigo
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Metal Phosphides: Preparation, Characterization and Catalytic ReactivityPrins, Roel ; Bussell, Mark E.Catalysis letters, 2012-12, Vol.142 (12), p.1413-1436 [Periódico revisado por pares]Boston: Springer USTexto completo disponível |
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Material Type: Artigo
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Hydrodeoxygenation of Furfural Over Supported Metal Catalysts: A Comparative Study of Cu, Pd and NiSitthisa, Surapas ; Resasco, Daniel E.Catalysis letters, 2011-06, Vol.141 (6), p.784-791 [Periódico revisado por pares]Boston: Springer USTexto completo disponível |