%0 Journal Article
%T Use of semiempirical quantum chemical approaches in computation of molecular dipole moments of tropones and tropolones
%A ALEXEI N. PANKRATOV
%J Journal of the Serbian Chemical Society
%D 2000
%I Serbian Chemical Society
%X Using the MNDO, AM1 and PM3 methods, the dipole moments (¦Ě) of 28 tropones and 34 tropolones molecules have been computed. The potentials of the above approaches for the evaluation of m have been revealed. The correlations ¦Ěexper = b¦Ětheor have been established.
%K semiempirical quantum chemical method
%K dipole moment
%K theory - experimental correlation
%K tropones
%K tropolones
%U http://www.shd.org.yu/HtDocs/SHD/Vol65/No1-Pdf/V65-No1-01.zip