In this paper we seek to determine the shape of the barrier between the normal and tautom eric conformers for some excited singlet and triplet states in the molecules of guanine and cytosine. The molecules are 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.
Notas
Publicado on line en 2014.
Información general
Fecha de publicación:1977
Idioma del documento:Inglés
Revista:Zeitschrift für Naturforschung C; vol. 32, no. 9-10
Institución de origen:Facultad de Ciencias Exactas
Excepto donde se diga explícitamente, este item se publica bajo la siguiente licencia Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)