CCCBDB specifications


Unique identifier OMICS_19351
Alternative name Computational Chemistry Comparison and Benchmark DataBase
Restrictions to use None
Community driven No
Data access Browse
User data submission Allowed
Maintained Yes


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Additional information

CCCBDB citation


The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age

J Cheminform
PMCID: 3206452
PMID: 21999363
DOI: 10.1186/1758-2946-3-38

[…] ituted by a number of online web-based repositories of QC calculations, normally developed by one research group with a very specific scientific objective in mind. Among them, we can mention the NIST Computational Chemistry Comparison and Benchmark DataBase (CCCDB), which contains a collection of experimental and calculated ab initio thermochemical, vibrational, geometric a […]

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