Vibrational spectroscopy is an essential tool in chemical analyses, biological assays, and
studies of functional materials. Over the past decade, various coherent nonlinear vibrational …

Water is, of course, a fascinating and important substance. For such a simple molecule, its
condensed phase properties are surprisingly complex. Here we might mention the many …

IR and Raman (parallel-and perpendicular-polarized) spectra in the OH stretch region for
liquid water were measured some years ago, but their interpretation is still controversial. In …

Protein hydration shell dynamics play an important role in biochemical processes including
protein folding, enzyme function, and molecular recognition. We present here a comparison …

The structure of liquid water is presently under intense debate. We summarize the historical
development of the present description of water and the controversy surrounding the X-ray …

A wide range of geometric order parameters have been suggested to characterize the local
structure of liquid water and its tetrahedral arrangement, but their respective merits have …

We have carried out first-principles Born–Oppenheimer molecular dynamics (BOMD)
simulations of heavy water using density functional theory in conjunction with either …

The advent of laser-based sources of ultrafast infrared pulses has extended the study of very
fast molecular dynamics to the observation of processes manifested through their effects on …

Compared with other molecular liquids, water is highly structured because of its ability to
form up to four hydrogen bonds, resulting in a tetrahedral network of molecules. However …

Experiments and computer simulations have established that liquid water's surfaces can
deviate in important ways from familiar bulk behavior. Even in the simplest case of an air …