title: The tautomeric conformers for the molecules of guanine and cytosine. Some remarks about their stability.
abstract: In this paper we seek to determine 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. The molecules as considered isolated and a particular movement of the H atom is analysed. The semi-empirical CNDO/2-CI has been used. The calculated results are compared with the available experimental data.
mesh_terms: D003596:Cytosine; D004355:Drug Stability; D006147:Guanine; D008968:Molecular Conformation
chemical_list: D006147:Guanine; D003596:Cytosine