Polarization, Isopotential Maps and Tunneling in Guanine, Cytosine, and Tautomeric Forms


We have used the CNDO/2-CI method to calculate the isopotential maps for the fundamental state and the direction of the polarizations corresponding to several singlet transitions in the mole­ cules of guanine, cytosine and tautomeric forms. We have also calculated the times for proton tunneling and equilibrium constants between both conformers corresponding… (More)


7 Figures and Tables