appears_in: []
contact:
  email: pavel.hobza@uochb.cas.cz
  name: Pavel Hobza
  orcid: 0000-0001-5292-6719
depends_on: []
deprecated: false
description: The Benchmark Energy & Geometry Database (BEGDB) collects results of
  highly accurate quantum mechanics (QM) calculations of molecular structures, energies
  and properties. These data can serve as benchmarks for testing and parameterization
  of other computational methods.
example: '4214'
example_extras: []
homepage: http://www.begdb.com
keywords: []
mappings:
  biocontext: BEGDB
  miriam: begdb
  n2t: begdb
  re3data: r3d100011166
name: Benchmark Energy & Geometry Database
namespace_in_lui: false
pattern: ^[0-9]+$
preferred_prefix: begdb
prefix: begdb
providers: []
publications:
- doi: 10.1135/cccc20081261
  title: 'Quantum Chemical Benchmark Energy and Geometry Database for Molecular Clusters
    and Complex Molecular Systems (www.begdb.com): A Users Manual and Examples'
  year: 2008
synonyms: []
uri_format: http://www.begdb.com/index.php?action=oneMolecule&state=show&id=$1
