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. 2020 Sep 21;16(10):6007–6013. doi: 10.1021/acs.jctc.0c00810

Table 1. Mode Description, Experimental Frequency (cm–1), and Kinetics (fs) of Pyranine Vibrational Bands Analyzed in This Work47.

mode exp. freq exp. rise time exp. decay time oscillating intensity
ring deformation + H out-of-plane 952 140 600 no
out-of-plane ring deformation 630 300 >1000 yes
ring deformation + COH rocking 362 650 >1000 no
vertical breathing 191 320 540 no