Kinetics Database Logo

Kinetics Database Resources

Simple Reaction Search

Search Reaction Database

Search Bibliographic Database

Set Unit Preferences

Feedback

Rate Our Products and Services

Help


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

More...


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):   Zhao, M.; Zhao, Y.L.; Liu, P.J.; Chang, Y.F.; Pan, X.M.; Su, Z.M.; Wang, R.S.
Title:   Quantum chemical study on the reaction mechanism of OBO radical with OH radical
Journal:   Chin. J. Chem.
Volume:   22
Page(s):   611 - 615
Year:   2004
Reference type:   Journal article
Squib:   2004ZHA/ZHA611-615

Reaction:   ·OH + BrO2HO2 + BrO
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Barrier height only calculated
Comments:   CCSD(T)/6-311-G(d,p)//B3LYP/6-311-G(d,p), complicated reaction sequence (four IM), no expt comp available, minor channel, exothermic

View full bibliographic record.