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):   Zhang, J.X.; Li, Z.S.; Liu, J.Y.; Sun, C.C.
Title:   Theoretical study on the mechanism of the CH2F+NO2 reaction
Journal:   J. Comput. Chem.
Volume:   27
Page(s):   894 - 905
Year:   2006
Reference type:   Journal article
Squib:   2006ZHA/LI894-905

Reaction:   ·CH2F + NO2 → FCNO + H2O
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Pressure dependence:   None reported
Comments:   No reaction rates given. Ab initio study, using MCQCISD//B3LYP/G-311G(d,p) energies. P3) CH2F + NO2 -> FCNO + H2O DrH = -40.2kcal/mol Ea = 62.4kcal/mol Ea values are derived from a energy surface diagram

View full bibliographic record.