Oxygen K-edge X-ray absorption spectra

F Frati, MOJY Hunault, FMF De Groot - Chemical reviews, 2020 - ACS Publications
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 …

Simulating X-ray spectroscopies and calculating core-excited states of molecules

P Norman, A Dreuw - Chemical reviews, 2018 - ACS Publications
During the past decade, the research field of computational X-ray spectroscopy has
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 …

High resolution X-ray emission spectroscopy of liquid water: The observation of two structural motifs

T Tokushima, Y Harada, O Takahashi, Y Senba… - Chemical Physics …, 2008 - Elsevier
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 …

X-ray and electron spectroscopy of water

T Fransson, Y Harada, N Kosugi, NA Besley… - Chemical …, 2016 - ACS Publications
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 …

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 …

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 …

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 …

X-ray absorption spectroscopy and X-ray Raman scattering of water and ice; an experimental view

A Nilsson, D Nordlund, I Waluyo, N Huang… - Journal of Electron …, 2010 - Elsevier
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 …

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 …