In the current study, we analyze the adiabatically bound anions of guanine in two aspects: (1) the geometries and excess electron distributions are analyzed and compared with anions of the most stable neutrals to identify the sources of stability; (2) the chemical space of guanine tautomers is explored to verify if these new tautomers are contained in a particular subspace of the tautomeric space.
Revised: April 7, 2011 |
Published: December 27, 2007
Citation
Haranczyk M., J. Holliday, P. Willett, P. Willett, and M.S. Gutowski. 2007.Structure and Singly Occupied Molecular Orbital Analysis of Anionic Tautomers of Guanine.Journal of Computational Chemistry 29, no. 8:1277-1291. doi:10.1002/jcc.20886