Theoretical study of the reaction mechanism and kinetics of the OH + trimethyl orthoformate ((CH3O)3CH) + O2 reaction
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DOI: 10.1016/j.comptc.2019.05.009
Abstract: Abstract The profiles of potential energy surface (PES) of Trimethyl orthoformate (TMOF) with OH radicals under atmospheric conditions have been studied by performing M06-2X-GD3/6-311++G(d,p) approach for geometry optimization and ab initio method QCISD (T)/6-311++G(d,p) for… read more here.
Keywords: tmof reaction; ch3o; site; trimethyl orthoformate ... See more keywords