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...
| Main Authors: | , , , |
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| Format: | Article |
| Published: |
American Chemical Society
2016
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| Online Access: | https://eprints.nottingham.ac.uk/32037/ |