GROUND STATES OF SIGMA-BONDED MOLECULES .6. BENZENE AND ITS ISOMERS . INDUCTIVE EFFECTS IN BENZENE

The MINDO SCF MO method has been used to calculate the heats of formation of benzene, and some of its nonacetylenic isomers. Calculations are also reported for benzene carrying a “pure inductive” substituent, which seem to throw light on the transmission of inductive effects. © 1969, American Chemical Society. All rights reserved.