ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 43, Number 4
JKCSEZ 43(4)
August 20, 1999 

Ab initio calculation is performed to estimate the substltuent effects for Para-substituted pyridines Electrostatic potentials are obtained from ab initio molecular orbital wavefunctions of optimized structures for substituted pyridines Electrostatic potentials are computed to be minimum at nitrogen atom of pyridines. The potential minima aregood correlated with the substituent constants,σp and with the △pKa. It is shown that the electrostatic potential minima can be used as a measure of substituent effects.