
TY  - JOUR
A1  - Langler, Richard Francis 
A1  - Langler, Richard Francis 
T1  - Anticipating Molecular Polarity. IV. A Semiempirical Study of <font face = "symbol">p</font>-Polarizations in Non-Alternant Hydrocarbon Radicals with Graph-Theoretical and Perturbational Analyses
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 2001
VL  - 54
IS  - 4
SP  - 267
EP  - 276
KW  - 
UR  - https://doi.org/10.1071/CH00160 
N2  - A new graph-theoretical approach to predicting topologically induced polarities in non-alternant monocyclic radicals is presented. Bisnorgraphs are defined and exploited for this purpose. PM3 (parameterization method 3) enthalpies of reaction for the formation of non-alternant monocyclic radicals appear to be sensitive to the extent of topological framework polarization in these radicals. Manuscript received: 13 December 2000. Final version: 16 July 2001. 
ER  -

