Hydrogen bonded molecular clusters provide a laboratory in which we can explore connections between structure and spectroscopy.  In this work I will discuss recent work in our group in in which we made connections between the bonding environments of proton transfer processes and hydrogen bonding and vibrational frequencies and intensities that are obtained from linear spectroscopies.  The presentation will draw together insights obtained from several theoretical and computational approaches being developed in the group.  These include harmonic treatments, reduced dimensional models, vibrational perturbation theory in internal coordinates and Diffusion Monte Carlo approaches. Implications of these studies of ion-water complexes to insights into the condensed phase dynamics and spectroscopy will also be discussed<br/>

Stories that are encoded in vibrational spectra: Obtaining insights into the spectroscopy of water from studies of ion-water complexes

2019 Fall National Meeting

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