PLANARITY OF CONJUGATED CYCLIC SYSTEMS AND PREDICTION OF ROTATIONAL-CONSTANTS - AB-INITIO AND SEMIEMPIRICAL CALCULATIONS OF SOME CROSS-CONJUGATED COMPOUNDS
W. Hutter et al., PLANARITY OF CONJUGATED CYCLIC SYSTEMS AND PREDICTION OF ROTATIONAL-CONSTANTS - AB-INITIO AND SEMIEMPIRICAL CALCULATIONS OF SOME CROSS-CONJUGATED COMPOUNDS, Journal of molecular structure, 321(3), 1994, pp. 255-263
Ab initio and semi-empirical calculations have been carried out on six
cyclic cross-conjugated compounds: fulvene, cyclopentadienone, 2,5-cy
clohexadienone, 4,4-dimethyl-2,5-cyclohexadienone, 3-methylene-1,4-cyc
lohexadiene and 3,3-dimethyl-6-methylene-1,4-cyclohexadiene. The resul
ts are compared with experimental data as far as it is available.