Browsing by Author "d71eb322-1c8c-40ef-8852-bd3bbb739b41"
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Yepes, Diana; Jaque Olmedo, Pablo; Fernández, Israel (Wiley-VCH, 2018-06-21)The hydrogenation reaction of multiple bonds that is mediated by geminal aminoborane-based frustrated Lewis pairs (FLPs) has been explored by means of density functional theory calculations. It was found that the release ...
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Miranda Rojas, Sebastián; Fernández, Israel; Kaestner, Johannes; Toro Labbé, Alejandro; Mendizábal Emaldía, Fernando (Wiley, 2018)Fluoroacetate dehalogenase is able to cleavage a carbon-fluoride bond, the strongest carbon-halogen bond in nature, in a process initiated by a S(N)2 reaction. The role of the enzyme machinery and particularly of the halogen ...
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Gallardo Fuentes, Sebastián; Ormazabal Toledo, Rodrigo; Fernández, Israel (American Chemical Society, 2020)The mechanism and selectivity of phosphine-catalyzed [3 + 2] and [3 + 3] annulations of azomethine imines and allenoates have been computationally studied. Exploration of the potential energy surface reveals that the ...