A comprehensive centralized data repository in catalysis should include:
1. Experimental Data: Results from various experiments including reaction conditions, catalysts used, yields, and selectivities. 2. Computational Data: Simulations and modeling results that predict catalyst behavior and reaction mechanisms. 3. Literature References: Published papers, patents, and reviews that provide context and background information. 4. Characterization Data: Information on the physical and chemical properties of catalysts, obtained from techniques like X-ray diffraction (XRD), NMR spectroscopy, and scanning electron microscopy (SEM).
