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. Author manuscript; available in PMC: 2009 Nov 20.
Published in final edited form as: Chem Phys. 2008 May 23;347(1-3):383–392. doi: 10.1016/j.chemphys.2007.10.035

Fig. 9.

Fig. 9

The TRIR spectrum (difference between triplet and singlet infrared absorption cross sections) calculated at the B3LYP/6-31++G** level for (a) thymine, and (b) thymidine.