The AutoMech data initiative is a theory-driven, database of thermodynamic properties for atmospheric and fuel species. It includes enthalpies, entropies, and heat capacities from 0−3000 K and NASA polynomials. We currently have over 500 species including up to C8 alkanes (RH), alkyl radicals (R), peroxy radicals (RO2), hydroperoxy alkyl (QOOH), hydroperoxide species (RO2H), and soon hydroperoxy-alkyl radicals (O2QOOH). It also includes high-level reference data (ANL0, ANL1, and ANL1†) for small C, N, O, and H containing species.
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