Kinetics Database Logo

Kinetics Database Resources

Simple Reaction Search

Search Reaction Database

Search Bibliographic Database

Set Unit Preferences


Rate Our Products and Services


Other Databases

NIST Standard Reference Data Program

NIST Chemistry Web Book

NDRL-NIST Solution Kinetics Database

NIST Computational Chemistry Comparison and Benchmark Database

The NIST Reference on Constants, Units, and Uncertainty


Administrative Links

NIST home page

MML home page

Chemical and Biochemical Reference Data Division

MML home page

Chemical and Biochemical Reference Data Division

  NIST Logo Home
©NIST, 2013
Accessibility information
Author(s):   Hou, H.;Li, Y.Z.;Wang, B.S.
Title:   Computational study of the reaction of atomic oxygen with acetone in the gas phase
Journal:   J. Phys. Chem. A
Volume:   110
Page(s):   13163 - 13171
Year:   2006
Reference type:   Journal article
Squib:   2006HOU/LI13163-13171

Reaction:   Acetone + ·CH3 + CH3C(O)O
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   Reaction potential energy surface was studied using quantum chemistry and product channels were analyzed. Rate constant values were calculated but not reported. This channel is minor (less than 1%) at all temperatures up to 3000 K.

View full bibliographic record.