Macrocyclic complexes, distinguished by their ring-shaped ligands, offer unique opportunities in coordination chemistry, providing enhanced selectivity, stability, and tunability of metal centres.
Crystal structure for layered transition metal oxide cathode materials, showing the arrangement of lithium and transition metal cations across separate layers. Journalists may use this image only with ...
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Crystallography-informed AI achieves high performance in predicting novel crystal structures
A research team from the Institute of Statistical Mathematics and Panasonic Holdings Corporation has developed a machine learning algorithm, ShotgunCSP, that enables fast and accurate prediction of ...
The Cambridge Crystallographic Data Centre (CCDC) has recently closed the 7th Crystal Structure Prediction (CSP) Blind Test. CSP is the ability to predict, from its 2D molecular structure, the 3D ...
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