Abstract

The potential energy surface of H(13) proton in base cytosine ofthe DNA molecules is calculated at theGaussian 98 MP2/6-311G(d,p) level. Two potential wells are found.One corresponds to the normal cytosine, while the other correspondsto its trans-imino tautomer. The estimated tunneling probability ofthe H(13) proton from one well to another well shows that the lifetime of the proton staying in one of these wells is about 600 yrs. It istoo long to let tautomers of cytosine be in thermodynamical equilibriumin a room temperature gas phase experiment.

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