Atomic Fukui indices and orbital hardnesses of adenine, thymine, uracil, guanine and cytosine from density functional computations

Local reactivity indices have been computed for cytosine, thymine, uracil, guanine and adenine free nucleic acid bases by using the orbitally resolved hardness tensor (ORHT) and the atomically resolved hardness tensor (ARHT) approaches. Results show that these indices account for some significant physical chemistry properties of these systems.