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uncertain The Benchmark Energy & Geometry Database


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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.


Countries that developed this resource Czech Republic

Created in 2008

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How to cite this record BEGDB; The Benchmark Energy & Geometry Database; DOI:; Last edited: June 25, 2021, 2:44 p.m.; Last accessed: Sep 25 2021 2:03 p.m.

This record is maintained by krapnik  ORCID

Record added: Nov. 22, 2016, 9:48 p.m.
Record updated: June 25, 2021, 2:43 p.m. by The FAIRsharing Team.

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Quantum Chemical Benchmark Energy and Geometry Database for Molecular Clusters and Complex Molecular Systems ( A Users Manual and Examples

Řezáč J., Jurečka P., Riley K.E., Černý J., Valdes H., Pluháčková K., Berka K., Řezáč T., Pitoňák M., Vondrášek J., Hobza P.
Collection of Czechoslovak Chemical Communication 2008

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