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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
Page(s):  
Year:   2012
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2012PLA/WHA14310

Reaction:   O2(1DELTA) + CaCaO +
Reaction order:   2
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.

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