Carbene Routes to Cyclopropatetrahedrane
收藏Figshare2022-11-29 更新2026-04-28 收录
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https://figshare.com/articles/dataset/Carbene_Routes_to_Cyclopropatetrahedrane/21644565
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资源简介：
The formation of cyclopropatetrahedrane (tetracyclo[2.1.0.01,3.02,4]pentane) via four different carbene reactions is computed using the (U)CCSD(T)(full)/cc-pVTZ//(U)ωB97X-D/cc-pVTZ + 1.3686(EZPVE) theoretical model. Intrinsic reaction coordinate plots confirm that each carbene is directly linked to cyclopropatetrahedrane via a unique cyclopropanation step. Each elementary step is assessed according to the structure and energy of its transition state.
创建时间：
2022-11-29
