We have used computational methods to extend the structure–activity relationships for peroxy radical H-shifts and ring closure reactions, with a particular focus on the rapid reactions of multi-functional acyl peroxy radicals.
High-level ab initio calculations are conducted for studying the kinetics of three linear pentanol radicals generated through H-atom abstraction reactions.
Theoretical investigations on the kinetics of decomposition and isomerization reactions for five types of branched pentanol radicals are carried out in this work.
Amino radicals play a central role in the pyrolysis and oxidation of ammonia.
A comprehensive review highlighting advances in the synthesis of N-acyl sulfonamides, including classical acylation techniques, transition-metal catalysis, and C–H functionalisation.