Vibrational Spectroscopic Maps
Vibrational Frequency, Vibrational Coupling and Vibrational Transition Strength
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Title
Amide I vibration map from Tokmakoff group
Date
2019-06-24
Attachment
Vibration frequency maps for amide I mode of peptides for CHARMM27 and OPLS-AA force fields are uploaded.
The parameters of the maps are obtained by fitting to FTIR absorption spectra of dipeptides and isotope-labeled NuG2b.