Simulation of the two-dimensional infrared spectroscopy of peptides using localized normal modes

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Simulation of the two-dimensional infrared spectroscopy of peptides using localized normal modes

Non-linear two-dimensional infrared spectroscopy (2DIR) is most commonly simulated within the framework of the exciton method. The key parameters for these calculations include the frequency of the oscillators within their molecular environments and coupling constants that describe the strength of c...

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Bibliographic Details
Main Authors:	Hanson-Heine, Magnus W.D., Husseini, Fouad S., Hirst, J.D., Besley, Nicholas A.
Format:	Article
Published:	American Chemical Society 2016
Online Access:	https://eprints.nottingham.ac.uk/32037/

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