Frequency labelling adiabatic

Fig. 14. Arrays of H spectra from a sample of 13C ( 64%) labelled CH3I with a WURST-20 adiabatic decoupling (a), a frequency-shifted WURST-20 decoupling (b), and a Double-WURST-20 decoupling (c). For the WURST-20,/imax= 1.39 kHz and /inns = 0.88/imax = 1.22 kHz and for the Double-WURST-20,/imax = 2.78 kHz and/irms = 0.62/imax = 1.72 kHz. Reprinted from Ref. 45 with permission from Elsevier.

Figure 13-7. Adiabatic energies of the lowest tttt transitions calculated of the most stable tautomers of guanine at several levels of theory (a-d) compared to experimental origin transitions [18]. Lower panel absolute values for the 7AHi species Upper panel relative values. Labels a-d refer to the following references a, b) [38] c) [30] and d) [24]. In this latter case, frequency values corrected for zero-point vibrational energies are also given when available...

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