Danilov, V.I.; Anisimov, V.M.
(Біополімери і клітина, 2004)
Gas-phase gradient optimization was carried out on the canonical Watson-Crick DNA base pairs using the second-order Moller-Plesset (MP2) perturbation method at the 6-31G* and 6-31G*(0.25) basis sets. It is detected that ...