Computational investigations on kinetics of reaction between t-butanol and OH radical and ozone formation potential
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The kinetics of the gas-phase atmospheric reaction of t-butanol with OH radicals is computationally studied using the CCSD(T)/aug-cc-pVTZ//M06-2X/6-311++G(d,p) level of calculation. The rate coefficients are evaluated for a wide temperature range of 250-1200 K... ...
