A density functional theory study on the mechanism of the allylpalladium-catalyzed dehydrogenation of aldehydes and cyclic ketones

Arisha, AHI

Arisha, AHI (corresponding author), Tel Aviv Univ, Fac Exact Sci, Sch Chem, Dept Organ Chem, IL-6997801 Tel Aviv, Israel.

PROGRESS IN REACTION KINETICS AND MECHANISM, 2021; 46 ():

Abstract

The results of density functional theory calculations at the APFD/SDD level are detailed herein in order to study the main steps in the alpha,beta-deh......

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