Polarization, Barriers and Tunneling Times of Some Tautomers of Adenine and Thymine
نویسندگان
چکیده
The relative stability of the normal and tautomeric forms of adenine and thymine has been formerly analysed with semi-empirical and abinitio methods [1—2]. In the same way we have now calculated the charge distribution of several excited states in order to determine the intramolecular charge transfer involved in the tautomerization process. Moreover, we have obtained the direction of the polarization of the light emitted during transitions between some excited states and the ground state. From the barriers reported in a preceding paper [1] some characteristic parameters for the tunneling and the equilibria between the tautomers of adenine and thymine were obtained.
منابع مشابه
Ab initio study & Density functional investigational of Adenine & Thymine; Comparison of primitive Gaussian and NBO calculation
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