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IRMPD action spectrum

To identify the structures present in the experimental study, authors compared their IRMPD spectra with the single photon spectra calculated at the B3L-YP/6-311 + G((i,/i) level. Figure 3.7 compares the experimental IRMPD action spectrum with the calculated IR spectra for three distinct conformers of LF (His) the structure a (see Fig. 3.6), ground state at all levels of theory, and two other representative lower energy conformers. Though the calculated IR intensities may... [Pg.67]

Fig. 3.7 Comparison of the experimental IRMPD action spectrum for LC (His) with IR spectra for three low-lying conformation predicted at the B3LYP/6-311+G( /,p) level of theory. (Taken from Reference [204])... Fig. 3.7 Comparison of the experimental IRMPD action spectrum for LC (His) with IR spectra for three low-lying conformation predicted at the B3LYP/6-311+G( /,p) level of theory. (Taken from Reference [204])...
See other pages where IRMPD action spectrum is mentioned: [Pg.248]    [Pg.249]    [Pg.248]    [Pg.249]    [Pg.345]    [Pg.247]    [Pg.588]    [Pg.247]    [Pg.72]   
See also in sourсe #XX -- [ Pg.247 , Pg.248 ]



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