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 Sciences Division

  NIST Logo Home
©NIST, 2013
Accessibility information
Author(s):   Gross, A.; Barnes, I.; Sorensen, R.M.; Kongsted, J.; Mikkelsen, K.V.
Title:   A theoretical study of the reaction between CH3S(OH)CH3 and O2
Journal:   J. Phys. Chem. A
Volume:   108
Page(s):   8659 - 8671
Year:   2004
Reference type:   Journal article
Squib:   2004GRO/BAR8659-8671

Reaction:   Cl(2P) + N2 + O2N2 + ClOO
Reaction order:   3
Temperature:   300 K
Rate expression:   1.46x10-33 [cm6/molecule2 s]
Category:  Theory
Data type:   Ab initio
Pressure dependence:   Rate constant is pressure independent
Comments:   Semiempirical model used to calculate termolecular rate constants. Value represents choice of empirical parameter that best reproduces experimental rate constant.

View full bibliographic record.