Digital Discovery, 2023, 2,1461-1470
DOI: 10.1039/D3DD00101F, Paper
DOI: 10.1039/D3DD00101F, Paper
Open Access
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Tudur David, Nik Khadijah Nik Aznan, Kathryn Garside, Thomas Penfold
A machine learning model capable of extracting structural information from XANES spectra is introduced. This approach, analogous to a Fourier transform of EXAFS spectra, can predict first coordination shell bond-lengths with a median error of 0.1 Å.
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A machine learning model capable of extracting structural information from XANES spectra is introduced. This approach, analogous to a Fourier transform of EXAFS spectra, can predict first coordination shell bond-lengths with a median error of 0.1 Å.
The content of this RSS Feed (c) The Royal Society of Chemistry