CCL: DFT for reactivity indices



 Sent to CCL by: Olasunkanmi Lukman Olawale [walecomuk^^yahoo.co.uk]
 Dear fellow subscribers,
 I have used conceptual DFT to calculate some global reactivity indices and fukui
 indices of some compounds. Is it reasonable to use the values obtained to
 compare chemical reactivity of two different compounds with the same functional
 groups? Previous articles I came across have only used these parameters to
 compare reactivity of isomeric compounds.