A geometry error for the neutrals has been corrected. Energy values should be: o-methylanisole, −378.884 38 au; mmethylanisole, −378.885 14; p-methylanisole, −378.884 21. The uncorrected proton affinities, by comparison with the energies of the most stable protonated forms, are 245.3,249.7, and 246.7 kcal/mol, respectively. As the text indicates, these values must be expected to be larger than experimental values. We thank Professor Warren J. Hehre for pointing out the discrepancy in our original results.
ASJC Scopus subject areas
- Colloid and Surface Chemistry