Theoretical AB initio study of the hydrogen bonding nature of the A:T base pair

The effect of applied external electric field on DNA occurs mostly at high field intensity. The results of the theoretical ab initio study on the applied electric field on A:T base pair components are reported. The geometries of the local minima were optimized at DFT level (B3LYP). The 6-31 G(d,p) basis set was used. The geometrical parameters, relative stability, interaction energies and nature of hydrogen bonding energy are reported. Also focus on the range of hydrogen bonding energy and the flexibility of the rotation angle between the A:T base pair. So that the electric field mutation may be able to be classified as multi-point mutation