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- W1971359706 abstract "The addition of hydrogen to vinylidene is studied using the MINDO/3 method. The results obtained are then compared with those for the addition of hydrogen to methylene applying ab initio and other semi-empirical methods. As expected, the pathways of these two reactions are qualitatively similar. The insertion is a non-least-motion process in which two phases can be easily distinguished: (i) an electrophilic step in which the empty orbital of the carbene interacts with the bonding orbital of H2, forming a three-center bond in the process, (ii) a nucleophilic step in which the lone pair orbital of the carbene interacts with the antibonding orbital of H2. The quantitative differences between the two reactions are also discussed." @default.
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- W1971359706 date "1980-09-01" @default.
- W1971359706 modified "2023-09-23" @default.
- W1971359706 title "Mindo/3 study of the addition of hydrogen to vinylidene" @default.
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- W1971359706 doi "https://doi.org/10.1016/0022-2860(80)80176-1" @default.
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