Summary
The distances of stacked bases of DNA in different conformations can-not be calculated by equilibrium potentials, since they exhibit not more than only one minimum. However, a double potential minimum is obtained by considering the most simple semiclassical model of excitons that are coupled adiabatically to lattice vibrations, hence forming polaritons. By use of Danilov's extended Hückel approximation of DNA excitons, stacked base distances can be calculated that agree fairly well with the experimental data. The errors of this approach are small as compared to the differences of the distances in various conformations. Consequently, this model may work as a first base of understanding molecular interactions in DNA.
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Popp, F.A., Nagl, W. Towards an understanding of stacked base interactions: non-equilibrium phase transitions as a probable model. Polymer Bulletin 15, 89–91 (1986). https://doi.org/10.1007/BF00263498
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DOI: https://doi.org/10.1007/BF00263498