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. 2006 Sep 14;103(39):14282–14287. doi: 10.1073/pnas.0603679103

Fig. 5.

Fig. 5.

Time-dependent VEBE for a typical isomer A trajectory at T = 150 K, calculated at the HF, MP2, and CCSD(T) levels, with the 6-31(1+,3+)G* basis set. Also shown are differences between the CCSD(T) and the HF or MP2 result.