To reduce efforts spent on refining the optimal conditions for synthesis of nanoporous metal-organic materials, EU-funded researchers proposed a set of new tools for molecular modelling allowing accurate property predictions.
Consisting of 3D and periodic networks of metals, metal clusters or metal-oxide clusters held together by organic linkers, metal-organic frameworks (MOFs) exhibit a wide variety of unique properties. Not surprisingly, MOFs find applications from gas storage and catalysis to photovoltaic and drug delivery systems.
Further details: Molecular modelling of metal-organic frameworks