National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 21August 2020
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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Molecules with Ca in CCCBDB

Click on the molecule name for links to all the data in the CCCBDB for that molecule.
Molecule Name Cation Name Anion Name
Ca Calcium atom Ca+ Calcium atom cation Ca- Calcium atom anion
CaH Calcium monohydride CaH+ Calcium monohydride cation
CaC Calcium monocarbide
CaO Calcium monoxide
CaF Calcium monofluoride
CaS Calcium sulfide
CaCl calcium monochloride
Ca2 Calcium diatomic
CaBr Calcium monobromide
CaH2 Calcium Hydride
CaOH Calcium monohydroxide
CaF2 Calcium difluoride
CaCl2 Calcium Chloride
CaBr2 Calcium dibromide
CaCO3 Calcium Carbonate