Matteo Cavalleri

TL;DR: X-ray absorption spectroscopy and x-ray Raman scattering were used to probe the molecular arrangement in the first coordination shell of liquid water and set a strong limit for possible local structure distributions in liquid water.

TL;DR: In this paper, the electronic structure of liquid water using x-ray absorption spectroscopy at the oxygen K edge was studied, and it was shown that the electronic structures of water are significantly different from that of the solid and gaseous forms, resulting in a pronounced pre-edge feature below the main absorption edge in the spectrum.

TL;DR: In this article, the changes in the X-ray absorption spectrum (XAS) of water upon formation of hydrogen bonds are analyzed with the aid of Density Functional Theory (DFT) calculations.

TL;DR: In this article, the oxygen K edge of water and ice has been recorded with a resolution of 1 eV using x-ray Raman spectroscopy at 10 keV.

TL;DR: The use of a full core-hole (FCH) in the calculations of XAS of ice, liquid and gas phase water gives poor agreement with experiment in terms of intensity distribution as well as transition energies, while the half core hole (HCH) potential provides a better compromise between initial and final state effects, leading to good agreement with the experimental data.