
%0 Journal Article
%A Davis, LP 
%A Guidry, RM 
%T A MINDO/3 Study of Nitrobenzene
%J Australian Journal of Chemistry
%D 1979/06/01
%V 32
%N 6
%P 1369-1374
%K 
%R https://doi.org/10.1071/CH9791369
%U https://www.publish.csiro.au/paper/CH9791369 
%X The MINDO/3 method developed by Dewar and coworkers has been used to make molecular orbital calculations on a number of conformations of nitrobenzene. Results indicate that, although the nitro group geometry is well reproduced, the MINDO/3 method fails to correctly predict the planar form of nitrobenzene in the gas phase. The effects of ring asymmetry on the molecular orbital energies are also discussed. 
