Nina Strasser retweeted
📢 The 7th Crystal Structure Prediction (CSP) Blind Test results are out!
CSP, predicting a crystal structure from a 2D formula, is a grand challenge in chemistry. Solving it would expedite world changing R&D. This test lets scientists advance methods.
ccdc-info.com/3NyZJ5b
Nina Strasser retweeted
The new 2024.2 software release includes new powder optimization & matching algorithms based on AutoFIDEL, improvements to simulated powder diffraction patterns, and additional protein–ligand docking mmCIF support.
Learn more at ccdc-info.com/3X17AwQ
#Crystallography
Nina Strasser retweeted
New @ChemRxiv preparation and characterization of zinc(II) coordination polymers with 3-(1H-imidazol-1-yl)propanoate linkers; all steps using only water as solvent. There's also DFT-based assignment of IR spectra by @EgbertZojer group. chemrxiv.org/engage/chemrxiv…
