Tag: organic chemistry

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.

The Organic Chemistry Portal offers an overview of recent topics, interesting reactions, and information on important chemicals for organic chemists. Searchable index of citations, chemical synthesis and chemical products. We publish 1000 additional ...