Computation-Ready Experimental Metal-Organic Frameworks (CoRE MOF) database containing experimental structures derived from crystallographic archives, optimized and prepared for molecular simulation.
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Computation-Ready Experimental Metal-Organic Frameworks (CoRE MOF) database containing experimental structures derived from crystallographic archives, optimized and prepared for molecular simulation.
Quantum-chemical database of Metal-Organic Frameworks (QMOFs) containing structural geometries and electronic properties computed using DFT. Focuses on porous framework configurations.