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 …
Simulating X-ray spectroscopies and calculating core-excited states of molecules
During the past decade, the research field of computational X-ray spectroscopy has
witnessed an advancement triggered by the development of advanced synchrotron light …
witnessed an advancement triggered by the development of advanced synchrotron light …
Perspective on the structure of liquid water
A Nilsson, LGM Pettersson - Chemical Physics, 2011 - Elsevier
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 …
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 …
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
GNI Clark, CD Cappa, JD Smith, RJ Saykally… - Molecular …, 2010 - Taylor & Francis
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 …
Tetrahedral structure or chains for liquid water
T Head-Gordon, ME Johnson - Proceedings of the National …, 2006 - National Acad Sciences
It has been suggested, based on x-ray absorption spectroscopy (XAS) experiments on liquid
water [Wernet, Ph., et al.(2004) Science 304, 995–999], that a condensed-phase water …
water [Wernet, Ph., et al.(2004) Science 304, 995–999], that a condensed-phase water …
X-ray absorption spectroscopy and X-ray Raman scattering of water and ice; an experimental view
Here we present a review of X-ray absorption spectroscopy and X-ray Raman scattering with
the perspective to understand the spectra of water including changes with temperature …
the perspective to understand the spectra of water including changes with temperature …
Electron-affinity time-dependent density functional theory: Formalism and applications to core-excited states
K Carter-Fenk, LA Cunha… - The Journal of …, 2022 - ACS Publications
The lack of particle–hole attraction and orbital relaxation within time-dependent density
functional theory (TDDFT) lead to extreme errors in the prediction of K-edge X-ray …
functional theory (TDDFT) lead to extreme errors in the prediction of K-edge X-ray …