Relationship between nucleophilicity/electrophilcity indices and reaction mechanisms for the nucleophilic substitution reactions of carbonyl compounds 

Probing the hydride transfer process in the lumiflavine-1- methylnicotinamide model system using group softness 

A theoretical study on the regioselectivity of 1,3-dipolar cycloadditions using DFT-based reactivity indexes 

Reactivity of the carbon-carbon double bond towards nucleophilic additions. A DFT analysis 

Temperature spectra from a turbulent thermal plume by ultrasound scattering