Abstract
The addition reaction of an ethene radical cation and a neutral ethene molecule, as previously observed in low-temperature matrix isolation ESR measurements, has been studied using a number of computational methods, ranging from the semiempirical AM1 and PM3 methods to ab initio UHF, MP2, and MP4 calculations using different basis sets, with and without spin projection included. An intermediate addition complex is observed as a local minimum on the potential energy surface of the reaction
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