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Plane, J.MC.; Whalley, C.L.; Frances-Soriano, L.; Goddard, A.; Harvey, J.N.; Glowacki, D.R.; Viggiano, A.A.|
O-2(a(1)Delta(g))+Mg, Fe, and Ca: Experimental kinetics and formulation of a weak collision, multiwell master equation with spin-hopping
J. Chem. Phys.
O2(1DELTA) + Ca → CaO + O·
Pressure: 1.00E10 - 2.00E14 bar
no rate data available
Transition state theory
Rate constant is low pressure limit
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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