Vibrational spectra from atomic fluctuations in dynamics simulations. I. Theory, limitations, and a sample application |
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Authors: | Schmitz Matthias Tavan Paul |
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Affiliation: | Theoretische Biophysik, Lehrstuhl für Biomolekulare Optik, Ludwig-Maximilians-Universit?t München, Oettingenstrasse 67, 80538 München, Germany. |
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