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. 2013 Oct 6;10(87):20130415. doi: 10.1098/rsif.2013.0415

Figure 4.

Figure 4.

Time course of instantaneous IPs for a guanine and an adenine in a solvated DNA oligonucleotide, calculated with SCC-DFTB twice: considering isolated molecules (light lines) and taking into account the environment by means of a QM/MM implementation (dark lines). (Online version in colour.)