Reactivity and stability of aromatic car
β
R. K. Roy; K. Choho; F. De Proft; P. Geerlings
π
Article
π
1999
π
John Wiley and Sons
π
English
β 85 KB
The reactivity of acetaldehyde and some aromatic aldehydes towards acid-catalysed oxygen-18 exchange reactions with H 2 O 18 was studied using the density functional theory (DFT)-based reactivity descriptors local softness and local hardness. Local softness is used to predict the preferable reactive