National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 19April 2018
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 Si 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
Si Silicon atom Si+ Silicon atom cation Si- Silicon atom anion
SiH Silylidyne SiH+ silicon monohydride cation SiH- silicon monohydride anion
BSi Boron silicide
SiC silicon monocarbide SiC+ silicon monocarbide cation SiC- silicon monocarbide anion
SiN Silicon nitride SiN+ silicon mononitride cation SiN- silicon mononitride anion
SiO Silicon monoxide SiO+ silicon monoxide cation SiO- silicon monoxide anion
SiF silicon monofluoride SiF+ silicon monofluoride cation SiF- silicon monofluoride anion
Si2 Silicon diatomic Si2+ silcon dimer cation Si2- silcon dimer anion
SiP Silicon monophosphide SiP+ Silicon monophosphide cation SiP- Silicon monophosphide anion
SiS silicon monosulfide SiS+ silicon monosulfide cation SiS- silicon monosulfide anion
SiCl Clorosilylidyne SiCl+ silicon monochloride cation SiCl- silicon monochloride anion
SiBr Silicon monobromide
SiH2 silicon dihydride SiH2+ silicon dihydride cation SiH2- silicon dihydride anion
SiO2 silicon dioxide
SiF2 Silicon difluoride SiF2+ Silicon difluoride cation
SiS2 Silicon disulfide
SiCl2 Dichlorosilylene
SiH3 Silyl radical SiH3+ Silyl cation SiH3- Silyl anion
SiF3 Silicon trifluoride radical SiF3+ Silicon trifluoride cation
SiCl3 trichlorosilyl radical SiCl3+ trichlorosilyl cation
SiH4 Silane SiH4+ Silane cation
SiH3F monofluorosilane
SiF4 Silicon tetrafluoride
SiH3Cl chlorosilane
SiH2Cl2 dichlorosilane
SiHCl3 Trichlorosilane
SiCl4 Silane, tetrachloro-
SiH3Br bromosilane
SiBr4 Silicon tetrabromide
CH2SiH2 silaethylene
     SiF5- silicon pentafluoride anion
CH3SiH3 methyl silane
Si2H6 disilane
SiH3CCl3 (trichloromethyl)silane
SiCl3CH3 methyltrichlorosilane
SiH2(CH3)2 dimethylsilane
Si3H8 trisilane
SiCl2(CH3)2 dichlorodimethylsilane
SiH(CH3)3 trimethylsilane
Si(CH3)4 tetramethylsilane