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The excited states of the uracil radical cation have been studied theoretically using multireference configuration interaction and quasidegenerate perturbation theory methods. The ground state is an 2 A″ state and three electronically excited states have been calculated with adiabatic energies 1.00eV (D 1 ( 2 A′)), 1.79eV (D 2 ( 2 A″)), and 2.31eV (D 3 ...
The electronically excited singlet states of complexes of uracil with one water molecule have been studied theoretically using ab initio multireference configuration interaction methods. In agreement with previous theoretical and experimental results, four cyclic isomers of uracil forming hydrogen bonds with the water molecule have been located with energies within 0.2eV from the lowest energy isomer...
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