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Article
Fast calculation of the infrared spectra of large biomolecules
Vibrational spectra of proteins potentially give insight into biologically significant molecular motion and the proportions of different types of secondary structure. Vibrational spectra can be calculated eith...
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Book
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Chapter
Notes on the Analysis of Data for Pair Distribution Functions
In these notes, we collect together some results that we have found useful in the analysis of data for the Pair Distribution Function (PDF). This work is rather general, and we illustrate the results with exam...