Relationship between x-ray emission and absorption spectroscopy and the local H-bond environment in water

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Relationship between x-ray emission and absorption spectroscopy and the local H-bond environment in water

The connection between specific spectrum features in the water X-ray absorption (XAS) and X-ray emission (XES) spectra and the local H-bond coordination is studied based on structures obtained from path-integral molecular dynamics simulations using either the opt-PBE-vdW density functional or the MB...

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Bibliographic Details
Main Authors:	Zhovtobriukh, Iurii, Besley, Nicholas A., Fransson, Thomas, Nilsson, Anders, Pettersson, Lars G.M.
Format:	Article
Language:	English
Published:	American Institute of Physics 2018
Online Access:	https://eprints.nottingham.ac.uk/50560/

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