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. Author manuscript; available in PMC: 2012 Jun 16.
Published in final edited form as: J Phys Chem A. 2011 Apr 18;115(23):6028–6038. doi: 10.1021/jp110438c

Table 4.

Average shift and standard deviation of thymine’s VIE (eV) computed using increasin number of solvation shells.

No of solvation shells ΔVIE Std. deviation
1 +0.09 0.35
2 −0.69 0.46
3 −0.61 0.37
4 −0.80 0.45
5 −0.84 0.45
6 −0.85 0.44