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We study the effect of introducing He(q)q = {0, + 1, + 2}, into icosahedral molecules—XnZ12−nH12( n−2), with X = {C, Si}, Z = {B, Al} and n = {0, 1}—to see the effect of charge and spin on the stability and potential existence for these endohedral complexes. For q = 0 and q = +1, all endohedral systems correspond to energy minima with the He atom/ion remaining inside the cage. However, when the charge...
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