Investigating the electronic structure of high explosives with X-ray Raman spectroscopy

Abstract We investigate the sensitivity and potential of a synergistic experiment-theory X-ray Raman spectroscopy (XRS) methodology on revealing and following the static and dynamic electronic structure of high explosive molecular materials. We show that advanced ab-initio theoretical calculations a...

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Bibliographic Details
Main Authors: Oscar A. Paredes-Mellone, Michael H. Nielsen, John Vinson, Konmeng Moua, K. Dean Skoien, Dimosthenis Sokaras, Trevor M. Willey
Format: Article
Language:English
Published: Nature Portfolio 2022-11-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-022-24066-z