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A Quantitative Model for Alkane Nucleophilicity Based on C−H Bond Structural/Topological Descriptors
Besora, María; Olmos Verge, Andrea; Noverges, Bárbara; Asensio, Gregorio; Caballero Bevia, Ana
; Maseras, Feliu; Pérez Romero, Pedro José
(Wiley, 2020)
A first quantitative model for calculating the nucleophilicity of alkanes is described. A statistical treatment was applied to the analysis of the reactivity of 29 different alkane C−H bonds towards in situ generated metal ...