Oxygen K-edge X-ray absorption spectra
We review oxygen K-edge X-ray absorption spectra of both molecules and solids. We start
with an overview of the main experimental aspects of oxygen K-edge X-ray absorption …
with an overview of the main experimental aspects of oxygen K-edge X-ray absorption …
X-ray and electron spectroscopy of water
Here we present an overview of recent developments of X-ray and electron spectroscopy to
probe water at different temperatures. Photon-induced ionization followed by detection of …
probe water at different temperatures. Photon-induced ionization followed by detection of …
Hydrogen bonding definitions and dynamics in liquid water
X-ray and neutron diffractions, vibrational spectroscopy, and x-ray Raman scattering and
absorption experiments on water are often interpreted in terms of hydrogen bonding. To this …
absorption experiments on water are often interpreted in terms of hydrogen bonding. To this …
The inhomogeneous structure of water at ambient conditions
Small-angle X-ray scattering (SAXS) is used to demonstrate the presence of density
fluctuations in ambient water on a physical length-scale of≈ 1 nm; this is retained with …
fluctuations in ambient water on a physical length-scale of≈ 1 nm; this is retained with …
Perspective on the structure of liquid water
We present a picture that combines discussions regarding the thermodynamic anomalies in
ambient and supercooled water with recent interpretations of X-ray spectroscopy and …
ambient and supercooled water with recent interpretations of X-ray spectroscopy and …
High resolution X-ray emission spectroscopy of liquid water: The observation of two structural motifs
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 …
development of the present description of water and the controversy surrounding the X-ray …
Benchmark structures and binding energies of small water clusters with anharmonicity corrections
For (H2O) n where n= 1–10, we used a scheme combining molecular dynamics sampling
with high level ab initio calculations to locate the global and many low lying local minima for …
with high level ab initio calculations to locate the global and many low lying local minima for …
Soft x-ray absorption spectroscopy of liquids and solutions
JW Smith, RJ Saykally - Chemical reviews, 2017 - ACS Publications
X-ray absorption spectroscopy (XAS) is an electronic absorption technique for which the
initial state is a deeply buried core level. The photon energies corresponding to such …
initial state is a deeply buried core level. The photon energies corresponding to such …
The structure of ambient water
We review the spectroscopic techniques and scattering experiments used to probe the
structure of water, and their interpretation using empirical and ab initio models, over the last …
structure of water, and their interpretation using empirical and ab initio models, over the last …
Accurate Predictions of Water Cluster Formation, (H2O)n=2−10
RM Shields, B Temelso, KA Archer… - The Journal of …, 2010 - ACS Publications
An efficient mixed molecular dynamics/quantum mechanics model has been applied to the
water cluster system. The use of the MP2 method and correlation consistent basis sets, with …
water cluster system. The use of the MP2 method and correlation consistent basis sets, with …