INVESTIGATION OF CARBOCATIONIC REARRANGEMENTS BY THE ICAR PROGRAMстатья
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Дата последнего поиска статьи во внешних источниках: 29 мая 2015 г.
Аннотация:The ICAR program for the elucidation of carbocationic rearrangement mechanisms is described. Chemical transformations of the given structure are generated by an exhaustive combinatorial procedure and subsequently evaluated with the use of a knowledge base. Multistep mechanistic pathways are rationalized with regard to thermodynamic and kinetic parameters of the rearrangements. Application of the program is discussed.