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1“... (PES) is obtained at the MP2/6-311++G(d,p) level of theory, and the single-point energies are refined...”
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2“...) level of theory. The rate constants for various product channels of the reaction in the temperature...”
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3“... and triplet potential energy surfaces (PESs) is obtained at the MP2/6-311 + G(2df) level of theory...”
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