Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).
Please note that all times are shown in the time zone of the conference. The current conference time is: 1st Nov 2024, 12:05:25am CET
ID: 915 / Poster - 03 Structure prediction: 3 Chemical crystallography, crystal structures Poster MS: Crystal structure prediction, Porous framework materials for gas adsorption/separation, Function and application of porous crystals Keywords: Porous organic cages, modelling, coarse graining
Predicting the packing behaviour of porous organic cages
Emma Helen Wolpert, Kim E Jelfs
Department of Chemistry, Imperial College London, Molecular Sciences Research Hub, White City Campus, London, W12 0BZ, UK
External Resource:
ID: 859 / Poster - 03 Structure prediction: 4 Theory, computation, modelling, data, standards Oral/poster MS: Crystal structure prediction, Handling of big data in crystallography, Data-driven discovery in crystallography Keywords: Machine Learning, Solvent Prediction, CSD, big data
Come for the drug, stay for the solvent!
Ioana Sovago, Peter Wood
The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, CB1 2EZ, UK
External Resource:
ID: 1602 / Poster - 03 Structure prediction: 5 Chemical crystallography, crystal structures Poster MS: Crystal structure prediction Posters only: Chemical crystallography, crystal structures (if it does not fit to any specific topics) Keywords: Metal-nucleotide interactions, ternary complex, coordination polymer, single crystal structure
Structural characterization of Cu-tpy-nucleotide ternary complexes
