National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

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I.B.1.d.2.

Bonds types in CCCBDB

All species with O-O bond.

Species Name List all bonds Experimental data
HO2 Hydroperoxy radical List all bonds Experimental data
HO2- Hydroperoxy anion List all bonds Experimental data
HO2+ Hydroperoxy cation List all bonds Experimental data
H2O2 Hydrogen peroxide List all bonds Experimental data
H2O2+ Hydrogen peroxide cation List all bonds Experimental data
H3O2+ hydrogen peroxide, protonated List all bonds Experimental data
CH2O2 Dioxirane List all bonds Experimental data
H2O3 Hydrogen trioxide List all bonds Experimental data
CH2OOH CH2OOH List all bonds Experimental data
CH3OO methylperoxy radical List all bonds Experimental data
CH3OO- methylperoxy anion List all bonds Experimental data
CH3OO+ methylperoxy cation List all bonds Experimental data
CH3OOH Methyl peroxide List all bonds Experimental data
FO2 Dioxygen monofluoride List all bonds Experimental data
ClOO chloroperoxy radical List all bonds Experimental data
ClOO+ chloroperoxy cation List all bonds Experimental data
HOCH2OOH hydroxy methyl peroxide List all bonds Experimental data
C2H5OO ethylperoxy radical List all bonds Experimental data
CH3OOCH3 dimethylperoxide List all bonds Experimental data
FOOF Perfluoroperoxide List all bonds Experimental data
ClOOCl Dichlorine dioxide List all bonds Experimental data
HOONO2 peroxy nitric acid List all bonds Experimental data
CH3C(O)OO acetyl peroxy radical List all bonds Experimental data
C2H4O3 1,2,3-trioxolane List all bonds Experimental data
C2H4O3 trioxolane124 List all bonds Experimental data
C3H8O2 Hydroperoxide, 1-methylethyl List all bonds Experimental data