• 1 January 1977
    • journal article
    • research article
    • Vol. 32  (9-10) , 870-873
Abstract
The shape of the barrier between the normal and tautomeric conformers for some excited singlet and triplet states in the molecules of guanine and cytosine are determined. The molecules are considered isolated and a particular movement of the H atom is analyzed. The semi-empirical CNDO/2-CI [complete neglect of differential overlap-configuration interaction] was used. The calculated results are compared with the available experimental data.