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README This data set accompanies the publication "Structural Dependence of Extended Amide III Vibrations in Two-Dimensional Infrared Spectra" by Julia Brüggemann, Maria Chekmeneva, Mario Wolter, and Christoph R. Jacob (TU Braunschweig, Germany) It contains the following files: Directory 01_structures: - xyz files of all considered molecular structures.
quantum chemistry, 2D-IR spectroscopy, computational chemistry, vibrational spectroscopy
quantum chemistry, 2D-IR spectroscopy, computational chemistry, vibrational spectroscopy
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