Fig. 14

Geometry optimized and calculated CHELPG charge for hetero atoms as well as ESP of 4a and 4j at B3LYP/6–31 + G (d,p) level of theory
Geometry optimized and calculated CHELPG charge for hetero atoms as well as ESP of 4a and 4j at B3LYP/6–31 + G (d,p) level of theory