Valence-bound and diffuse-bound anions of 5-azauracil.

Abstract

Structures, isomerization energies, and electron binding energies of 5-azauracil and its anions have been calculated ab initio with perturbative, coupled-cluster, and electron-propagator methods. Tautomeric structures, including those produced by proton transfer to a CH group, have been considered. Dyson orbitals and pole strengths from electron-propagator… (More)
DOI: 10.1021/jp505307m

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Cite this paper

@article{Corzo2014ValenceboundAD, title={Valence-bound and diffuse-bound anions of 5-azauracil.}, author={H{\'e}ctor Corzo and Olga Dolgounitcheva and Vyacheslav G. Zakrzewski and Javier Ortiz}, journal={The journal of physical chemistry. A}, year={2014}, volume={118 34}, pages={6908-13} }