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):   Plane, J.MC.; Whalley, C.L.; Frances-Soriano, L.; Goddard, A.; Harvey, J.N.; Glowacki, D.R.; Viggiano, A.A.
Title:   O-2(a(1)Delta(g))+Mg, Fe, and Ca: Experimental kinetics and formulation of a weak collision, multiwell master equation with spin-hopping
Journal:   J. Chem. Phys.
Volume:   137
Year:   2012
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2012PLA/WHA14310

Reaction:   O2(1DELTA) + CaCaO2
Reaction order:   3
Temperature:   296 K
Pressure:  1.00E10 - 2.00E14 bar
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is low pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated for a wide range of pressures using RRKM and master equation. Rate constants are presented in a graphical format.

View full bibliographic record.