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Author(s):   Li, X.Y.;Meng, L.P.;Zheng, S.J.
Title:   Theoretical studies on the reactions of NO2 with CH3SO, CH3SS, CH3SO2 and CH3(S)(S)O
Journal:   J. Mol. Struct. Theochem
Volume:   775
Page(s):   101 - 106
Year:   2006
Reference type:   Journal article
Squib:   2006LI/MEN101-106

Reaction:   NO2 + CH3SO → NO + CH3SOO
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Comments:   Geometries of the reactants, intermediates (IM), transition states (TS) and products have been optimized and geometries of the transition states are found for the first time. The different structures among four transition states have been discussed by the method of topological analysis of electronic density. No rate constant values were calculated.

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