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):   Zhou, Z.; Cheng, X.; Zhou, X.; Fu, H.
Title:   Vibrational Mode Analysis for the Multi-Channel Reaction of CH3O + CO
Journal:   Chem. Phys. Lett.
Volume:   353
Page(s):   281 - 289
Year:   2002
Reference type:   Journal article
Squib:   2002ZHO/CHE281-289

Reaction:   CO + CH3COCO2 + ·CH3
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   Reaction pathways are traced through the transition states important to the title reaction. The energy level diagram was constructed from ab initio results computed at the B3LYP/6-311++G** level.

View full bibliographic record.