Benchmark Energy & Geometry Database (BEGDB)
Licensed according to this deed.
Category
Published on
Abstract
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.
Citation
Řezáč, J.; Jurečka, P.; Riley, K. E.; Černý, J.; Valdes, H.; Pluháčková, K.; Berka, K.; Řezáč, T.; Pitoňák, M.; Vondrášek, J.; Hobza, P. Collect. Czech. Chem. Commun. 2008, 73, 1261-1270 http://dx.doi.org/10.1135/cccc20081261 http://cccc.uochb.cas.cz/73/10/1261/
http://www.begdb.com/index.php?action=contact&state=write
Site
Users
cyoun
Cite this work
Researchers should cite this work as follows: