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We present density functional theory (DFT) and complete basis set (CBS) calculations of the prototypical radical–radical reaction of ground–state atomic oxygen [O(3P)] with ethyl (C2H5) radicals. The respective reaction mechanisms and dynamics were investigated on the doublet potential energy surfaces using the DFT method and CBS model. In the title reaction, the barrierless addition of O(3P) to C...
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