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The energy profile of 8-(methylselanyl)-1-(methylseleninyl)naphthalene (1) is revealed to clarify how the Se(O)Me and SeMe groups control the stereochemistry of 1, through the nonbonded Se–SeO interaction. Six stable structures (SSs) and eight transition states (TSs) are optimized for 1. Frequency analysis is carried out for all SSs and TSs. The global minimum of 1 is the trans-form of 1 (1 (t-AA)),...
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