The Benchmark Energy & Geometry Database (BEGDB) collects results of highly accurate QM calculations of molecular structures, energies and properties. These data can serve as benchmarks for testing and parameterization of other computational methods.
re3data.org: Benchmark Energy & Geometry Database;
editing status 2024-01-16;
re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3Z90K
last accessed: 2025-04-27