The mechanisms of intermolecular and intramolecular enyne [4 + 2] cycloaddition reactions were investigated in detail using high-level ab initio methods. The structures of all transition states and intermediates were located using the MP2 method, potential energy surfaces were calculated at the MP2, MP3, MP4(SDQ), MP4(SDTQ), CCSD and CCSD(T) theory levels and the solvent effect was studied within PCM model.
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Valentine P. Ananikov (2001) studied this question.
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