AIMC Topic: X-Ray Absorption Spectroscopy
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X-ray absorption spectroscopy combined with deep learning for auto and rapid illicit drug detection.
The American journal of drug and alcohol abuse
Aug 19, 2024
X-ray absorption spectroscopy (XAS) is a widely used substance analysis technique. It bases on the different absorption coefficients at different energy level to achieve material identification. Additionally, the combination of spectral technology a...
Informed Chemical Classification of Organophosphorus Compounds via Unsupervised Machine Learning of X-ray Absorption Spectroscopy and X-ray Emission Spectroscopy.
The journal of physical chemistry. A
Jul 15, 2022
We analyze an ensemble of organophosphorus compounds to form an unbiased characterization of the information encoded in their X-ray absorption near-edge structure (XANES) and valence-to-core X-ray emission spectra (VtC-XES). Data-driven emergence of ...
A Deep Neural Network for the Rapid Prediction of X-ray Absorption Spectra.
The journal of physical chemistry. A
May 18, 2020
X-ray spectroscopy delivers strong impact across the physical and biological sciences by providing end users with highly detailed information about the electronic and geometric structure of matter. To decode this information in challenging cases, , ...
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