title: Understanding local electrophilicity/nucleophilicity activation through a single reactivity difference index.
abstract: A local reactivity difference index R(k) is shown to be able to predict the local electrophilic and/or nucleophilic activation within an organic molecule. Together with the electrophilic and/or nucleophilic behavior of the center k given by the sign, the magnitude of the R(k) index accounts for the extent of the electronic activation, a behavior that allows for the use of the R(k) index as a measure of the molecular reactivity especially in polar processes.
authors.affiliation: Department of Chemistry and Center for Theoretical Studies, Indian Institute of Technology Kharagpur, Kharagpur 721302, West Bengal, India. pkc@chem.iitkgp.ernet.in
authors.forename: Pratim K
authors.initials: PK
authors.lastname: Chattaraj
authors.forename: Soma
authors.initials: S
authors.lastname: Duley
authors.forename: Luis R
authors.initials: LR
authors.lastname: Domingo