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Showing 1 to 2 of 2 for “"semiclassical spectroscopy"”.
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SEMICLASSICAL VIBRATIONAL SPECTROSCOPY BEYOND POWER SPECTRA
Infrared (IR) spectroscopy is a fundamental technique for probing molecular structure, dynamics, and intermolecular interactions. However, the increasing spectral complexity of medium- and large-sized systems makes theoretical support essential for reliable spectral assignment. Semiclassical (SC) …
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SEMICLASSICAL VIBRATIONAL SPECTROSCOPY OF BIOMOLECULAR SYSTEMS
In questa tesi, presento un lavoro teorico sulla dinamica semiclassica che ha permesso di riprodurre con precisione gli spettri vibrazionali di molecole di interesse biologico. All’inizio del mio dottorato, ho sviluppato un software per eseguire la dinamica di Adiabatic Switching utilizzando …