Abstract:<p>The effects of ionizing radiation on DNA constituents is a widely studied fundamental process using experimental and computational techniques. In particular radiation effects on nucleobases are usually tackled by mass spectrometry in which the nucleobase is embedded in a water nanodroplet. Here we present a multiscale theoretical study revealing the effects and the dynamics of water droplets towards neutral and ionized thymine. In particular, by using both hybrid quantum mechanics/ molecular mechanics… Show more
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