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3 groups. Highly accurate relative energies between the stationary points can be considered later, and it may or may not affect the chemical reactions studied here. Nevertheless, in view of recent dramatic developments in silicon and chalcogen chemistry, it is therefore hoped that our theoretical study will provide a crucial starting point for developing silicon and chalcogen doubly bonded molecules and for opening up new academic and synthetic areas. For example, see refl.
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(a) The first paper that originated the CM model: Shaik, S. J. Am. Chem. Soc. 1981, 103, 3692.
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As suggested by a reviewer, in eq B, it could be possible to produce such a Te-O bond formation product, i.e., formation of the isomer opposite the one shown in Scheme 1. We tried to obtain such reaction mechanisms using the present DFT method. However, they always failed. We thus believe that the Si-X bond formation product is the only product for the alcohol addition reaction
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As suggested by a reviewer, in eq B, it could be possible to produce such a Te-O bond formation product, i.e., formation of the isomer opposite the one shown in Scheme 1. We tried to obtain such reaction mechanisms using the present DFT method. However, they always failed. We thus believe that the Si-X bond formation product is the only product for the alcohol addition reaction.
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