Electron capture beta decay of Be-7 located inside and outside the C-36 fullereneстатья
Статья опубликована в высокорейтинговом журнале
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:Equilibrium positions of the 7Be atom both inside and outside the C36 fullerene are found and the electron density at the 7Be nucleus, ρ(0), for these positions are calculated using a high-accuracy ab initio post-Hartree-Fock method. If 7Be is located outside the C36 cage the electron density at the 7Be nucleus practically coincides with ρ(0) of a single 7Be atom. In the encapsulated 7Be@C36 case ρ(0) is found to lie close to the electron density ρ(0) of the 7Be2+ ion with the unoccupied 2s electron shell, which results in the smallest value among all known 7Be-based compounds where the influence of chemical environment on the probability of electron capture by 7Be has been investigated. Consequently, the 7Be half-life in the 7Be@C36 molecular complex is expected to be the largest.