  In this work we report a computational study of the vibrational features of
four different nucleobases employing the divide-and-conquer semiclassical
initial value representation molecular dynamics method. Calculations are
performed on uracil, cytosine, thymine, and adenine. Results show that the
overall accuracy with respect to experiments is within 20 wavenumbers,
regardless of the dimensionality of the nucleobase. Vibrational estimates are
accurate even in the complex case of cytosine, where two relevant conformers
are taken into account. These results are promising in the perspective of
future studies on more complex systems, such as nucleotides or nucleobase
pairs.
