Structural descriptors and information extraction from X-ray emission spectra: aqueous sulfuric acid

EA Eronen, A Vladyka, CJ Sahle… - Physical Chemistry …, 2024 - pubs.rsc.org
Machine learning can reveal new insights into X-ray spectroscopy of liquids when the local
atomistic environment is presented to the model in a suitable way. Many unique structural …

Structural Sensitivity of N 1s Excitations in N-Methylacetamide Solutions

EA Eronen, A Vladyka, CJ Sahle… - The Journal of Physical …, 2025 - ACS Publications
Interpreting the X-ray spectra of liquids is complicated by their selective structural sensitivity
and ensemble averaging. We report nitrogen K-edge spectra of liquid N-methylacetamide …