Article ID Journal Published Year Pages File Type
5394706 Computational and Theoretical Chemistry 2012 8 Pages PDF
Abstract
► Heats of formation (HOF) of various aliphatic boronic acids/boroxines are calculated. ► Current computational procedures can yield substantially different HOF values. ► Dehydrations of boronic acids forming boroxines are typically endothermic.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Heats of formation for the boronic acids R-B(OH)2 and boroxines R3B3O3 (R = H, Li, HBe, H2B, H3C, H2N, HO, F, and Cl) calculated at the G2, G3, and G4 levels of theory
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