The electron bonded cytosine-guanine complex

Abraham F. Jalbout, Ludwik Adamowicz

Research output: Contribution to journalArticle

2 Scopus citations

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 0.40 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.

Original languageEnglish (US)
Pages (from-to)221-224
Number of pages4
JournalChemical Physics Letters
Volume420
Issue number1-3
DOIs
StatePublished - Mar 10 2006

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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