The structure and function of biomolecules are strongly influenced by their hydration shells.
Structural fluctuations and molecular excitations of hydrating water molecules cover a broad …

The time dependent response of a polar solvent to a changing charge distribution is studied
in solvation dynamics. The change in the energy of the solute is measured by a time domain …

Alkali (Li+, Na+, K+, Rb+, and Cs+) and halide (F−, Cl−, Br−, and I−) ions play an important
role in many biological phenomena, roles that range from stabilization of biomolecular …

The molecular characterization of the air/water interface is a key step in understanding
fundamental multiphase phenomena ranging from heterogeneous chemical processes in …

The dynamics of water molecules next to hydrophobic solutes is investigated, specifically
addressing the recent controversy raised by the first time-resolved observations, which …

In this overview, we provide a critique of the hydration dynamics of macromolecules,
particularly those of protein and DNA. Only in the past decade has femtosecond …

The present study reports on molecular dynamics investigations of chemically cross-linked
poly (ethylene glycol) hydrogels with the aim of exploring the diffusion properties of water …

The reorientation and hydrogen-bond dynamics of water molecules within the hydration
shell of a B-DNA dodecamer, which are of interest for many of its biochemical functions, are …

This paper presents an overview of recent experiments and theoretical developments aimed
at using vibrational spectroscopy to understand the structure and dynamics of nitrile-labeled …

In this work, we combine atomistic molecular dynamics simulations with theoretical
vibrational spectroscopy to study the properties of water confined inside bis (2-ethylhexyl) …