An extended computational approach has been utilized to explore the
reactions of acids with carbonyl oxide, also known as Criegee
intermediate (CI). The reactions were explored inside water cluster
containing 50 water molecules. All possibilities of product formation
were considered. Among the considered acids, the rate of 1,4-insertion
follows the order - HCOO < HCl < HNO3. The most
stable products of the reactions between the considered acids and CI
have been identified.