databases > DOI:10.25504/FAIRsharing.nbe4fq
Update in progress: note to all users. FAIRsharing is always available for you to search and discover databases, standards and data policies. However, for producers of these resources who maintain or wish to add new records, please note that editing is disabled until September while we migrate our data to our new, improved system. Read our blog post or get in touch with us for more details.
21/09/21 Ongoing Network Maintenance: From the 21st of September FAIRsharing may be offline at various point during the day; we apologise for any inconvenience.

uncertain The Benchmark Energy & Geometry Database

Abbreviation:BEGDB

General Information
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.

Homepage http://www.begdb.org/

Countries that developed this resource Czech Republic

Created in 2008

Taxonomic range

Knowledge Domains 

Subjects 

User-defined Tags





How to cite this record FAIRsharing.org: BEGDB; The Benchmark Energy & Geometry Database; DOI: https://doi.org/10.25504/FAIRsharing.nbe4fq; 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.

Show edit history


In Collections

Support

General

Additional Information



Access / Retrieve Data

Conditions of Use

Applies to: Data use




Publications

Quantum Chemical Benchmark Energy and Geometry Database for Molecular Clusters and Complex Molecular Systems (www.begdb.com): 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

View Publication

Related Standards

Reporting Guidelines

No guidelines defined

Terminology Artifacts

No semantic standards defined

Models and Formats

No syntax standards defined

Identifier Schemas

No identifier schema standards defined

Metrics

No metrics standards defined


Related Databases

No related databases defined


Implementing Policies

This record is not implemented by any policy.


Credit

Record Maintainer

Funds

Maintains