| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5390949 | Chemical Physics Letters | 2006 | 4 Pages |
Abstract
In this work, we have performed quantum chemical calculations on a new form of the guanine-cytosine anion, in which the excess electron is suspended between the two systems. The vertical detachment energy calculations performed with the MP2 method yield a value of 0.40Â eV, showing a stability relative to the addition of this excess electron. The effects of removing the excess electron are also presented, whereby a significant change in the structure occurs. In these geometry optimizations of the neutral structure initiated with geometry of the anion, we obtain a hydrogen-bonded dimer with energy lower than the anion.
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Authors
Abraham F. Jalbout, Ludwik Adamowicz,