Journal of Molecular Catalysis A-Chemical, Vol.251, No.1-2, 229-233, 2006
A DFT study on the decomposition of semiperacetals
The decomposition of symmetric semiperacetals obtained from aldehydes and hydrogen peroxide leading to carboxylic acids and dihydrogen is reinvestigated by means of DFT calculations. (c) 2006 Elsevier B.V. All rights reserved.