
TY  - JOUR
A1  - Davis, LP 
A1  - Guidry, RM 
T1  - A MINDO/3 Study of Nitrobenzene
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1979
VL  - 32
IS  - 6
SP  - 1369
EP  - 1374
KW  - 
UR  - https://doi.org/10.1071/CH9791369 
N2  - 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. 
ER  -

