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Material Type: Artigo
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A Combined Experimental–Theoretical Study on Diels‐Alder Reaction with Bio‐Based Furfural: Towards Renewable AromaticsScodeller, I ; De Oliveira Vigier, Karine ; Muller, Eric ; Ma, Changru ; Guégan, Frédéric ; Wischert, Raphael ; Jérôme, FrançoisChemSusChem, 2021-01, Vol.14 (1), p.313-323 [Periódico revisado por pares]Germany: Wiley Subscription Services, IncTexto completo disponível |
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Material Type: Artigo
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Valence and Conduction Band Densities of States of Metal Halide Perovskites: A Combined Experimental–Theoretical StudyEndres, James ; Egger, David A ; Kulbak, Michael ; Kerner, Ross A ; Zhao, Lianfeng ; Silver, Scott H ; Hodes, Gary ; Rand, Barry P ; Cahen, David ; Kronik, Leeor ; Kahn, AntoineThe journal of physical chemistry letters, 2016-07, Vol.7 (14), p.2722-2729 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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3 |
Material Type: Artigo
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(Isocyano group) lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studiesMikherdov, Alexander S ; Katkova, Svetlana A ; Novikov, Alexander S ; Efremova, Mariia M ; Reutskaya, Elena Yu ; Kinzhalov, Mikhail ACrystEngComm, 2020-02, Vol.22 (7), p.1154-1159 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
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4 |
Material Type: Artigo
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Combined Experimental–Theoretical Characterization of the Hydrido-Cobaloxime [HCo(dmgH)2(PnBu3)]Bhattacharjee, Anirban ; Chavarot-Kerlidou, Murielle ; Andreiadis, Eugen. S ; Fontecave, Marc ; Field, Martin J ; Artero, VincentInorganic chemistry, 2012-07, Vol.51 (13), p.7087-7093 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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5 |
Material Type: Artigo
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Hydration of Lanthanoids(III) and Actinoids(III): An Experimental/Theoretical SagaD'Angelo, Paola ; Spezia, RiccardoChemistry : a European journal, 2012-09, Vol.18 (36), p.11162-11178 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
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6 |
Material Type: Artigo
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π-π Noncovalent Interaction Involving 1,2,4- and 1,3,4-Oxadiazole Systems: The Combined Experimental, Theoretical, and Database StudyBaykov, Sergey V ; Mikherdov, Alexander S ; Novikov, Alexander S ; Geyl, Kirill K ; Tarasenko, Marina V ; Gureev, Maxim A ; Boyarskiy, Vadim PMolecules (Basel, Switzerland), 2021-09, Vol.26 (18), p.5672 [Periódico revisado por pares]Switzerland: MDPI AGTexto completo disponível |
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7 |
Material Type: Artigo
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Highly fluorescent Zn-doped carbon dots as Fenton reaction-based bio-sensors: an integrative experimental-theoretical considerationXu, Quan ; Liu, Yao ; Su, Rigu ; Cai, Lulu ; Li, Bofan ; Zhang, Yingyuan ; Zhang, Linzhou ; Wang, Yajun ; Wang, Yan ; Li, Neng ; Gong, Xiao ; Gu, Zhipeng ; Chen, Yusheng ; Tan, Yanglan ; Dong, Chenbo ; Sreeprasad, Theruvakkattil SreenivasanNanoscale, 2016-11, Vol.8 (41), p.17919-17927 [Periódico revisado por pares]EnglandTexto completo disponível |
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8 |
Material Type: Artigo
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Mechanisms of syn-Insertion of Alkynes and Allenes into Gold–Silicon Bonds: A Comprehensive Experimental/Theoretical StudyJoost, Maximilian ; Estevez, Laura ; Mallet-Ladeira, Sonia ; Miqueu, Karinne ; Amgoune, Abderrahmane ; Bourissou, DidierJournal of the American Chemical Society, 2014-07, Vol.136 (29), p.10373-10382 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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9 |
Material Type: Artigo
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Mechanistic Basis of Conductivity in Carbon Dioxide-Expanded Electrolytes: A Joint Experimental–Theoretical StudyNilles, Christian K. ; Borkowski, Ashley K. ; Bartlett, Elizabeth R. ; Stalcup, Matthew A. ; Lee, Hyun-Jin ; Leonard, Kevin C. ; Subramaniam, Bala ; Thompson, Ward H. ; Blakemore, James D.Journal of the American Chemical Society, 2024-01, Vol.146 (4), p.2398-2410 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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10 |
Material Type: Artigo
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Investigating Light-Driven Hole Injection and Hydrogen Evolution Catalysis at Dye-Sensitized NiO Photocathodes: A Combined Experimental–Theoretical StudyMassin, Julien ; Bräutigam, Maximilian ; Bold, Sebastian ; Wächtler, Maria ; Pavone, Michele ; Muñoz-García, Ana B ; Dietzek, Benjamin ; Artero, Vincent ; Chavarot-Kerlidou, MurielleJournal of physical chemistry. C, 2019-07, Vol.123 (28), p.17176-17184 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |