Water structure from scattering experiments and simulation

T Head-Gordon, G Hura - Chemical reviews, 2002 - ACS Publications
Given the importance of water and its welldiscussed anomalies, there are a large number of
monographs, 1-4 reviews, 5, 6 and even popular literature7 that cover a much broader …

The radial distribution functions of water and ice from 220 to 673 K and at pressures up to 400 MPa

AK Soper - Chemical Physics, 2000 - Elsevier
Neutron diffraction data for water and ice in the form of OO, OH and HH partial structure
factors now exist over a temperature range 220–673 K, and at pressures up to∼ 400 MPa …

A reappraisal of what we have learnt during three decades of computer simulations on water

B Guillot - Journal of molecular liquids, 2002 - Elsevier
Due to its ubiquity in our environment (near or far remote) water is the most investigated
liquid of the literature. Since the advent of molecular simulations in the sixties the key point …

Calibration and testing of a water model for simulation of the molecular dynamics of proteins and nucleic acids in solution

M Levitt, M Hirshberg, R Sharon… - The Journal of …, 1997 - ACS Publications
The objective of this work is to obtain a water model for simulations of biological
macromolecules in solution. A pragmatic approach is taken in which we use the same type …

Acoustically‐Induced Water Frustration for Enhanced Hydrogen Evolution Reaction in Neutral Electrolytes

Y Ehrnst, PC Sherrell, AR Rezk… - Advanced Energy …, 2023 - Wiley Online Library
A novel strategy utilizing high‐frequency (10 MHz) hybrid sound waves to dramatically
enhance hydrogen evolution reactions (HER) in notoriously difficult neutral electrolytes by …

Neutron and x-ray diffraction studies of liquids and glasses

HE Fischer, AC Barnes, PS Salmon - Reports on Progress in …, 2005 - iopscience.iop.org
The techniques of neutron diffraction and x-ray diffraction, as applied to structural studies of
liquids and glasses, are reviewed. Emphasis is placed on the explanation and discussion of …

Site–site pair correlation functions of water from 25 to 400 C: Revised analysis of new and old diffraction data

AK Soper, F Bruni, MA Ricci - The Journal of chemical physics, 1997 - pubs.aip.org
Recent controversy in the literature about the structure of water away from ambient
conditions is manifested by significant differences between the site–site pair correlation …

Lyotropic liquid crystal directed synthesis of nanostructured materials

C Wang, D Chen, X Jiao - Science and technology of advanced …, 2009 - iopscience.iop.org
This review introduces and summarizes lyotropic liquid crystal (LLC) directed syntheses of
nanostructured materials consisting of porous nanostructures and zero-dimensional (0-D) …

Effect of high salt concentrations on water structure

R Leberman, AK Soper - Nature, 1995 - nature.com
THE characteristic tetrahedral structure of water is known to be disrupted by changes in
pressure and temperature1–3. It has been suggested that ions in solution may have a …

Adsorption of water on activated carbons: a molecular simulation study

EA Müller, LF Rull, LF Vega… - The Journal of Physical …, 1996 - ACS Publications
We report a molecular simulation study for a model of water adsorption on nonporous and
porous activated carbons. The grand canonical Monte Carlo method is used, and the …