Abstract
AM1 type semiempirical quantum chemical calculations at the level of restricted Hartree–Fock approach have been performed on endohedrally Be and various numbers of hydrogen doped C 70 system. The results indicate that (Be+ nH 2)@C 70 (0≤ n≤10) structures are stable and highly endothermic in nature. Moreover, interactions between the endohedral substituents and the cage are weak.
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