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CCCBDB specifications

Information


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

Maintainer


  • person_outline CCCBDB team

Additional information


http://acscinf.org/docs/meetings/230nm/presentations/230nm36.pdf

CCCBDB citation

library_books

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

2011
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) http://cccbdb.nist.gov/, which contains a collection of experimental and calculated ab initio thermochemical, vibrational, geometric a […]


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