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- W1965618648 abstract "Abstract Ab initio electronic structure calculations on C 60 and its cations, carried out at the HF/6-311G* level of approximation, predict that within I h symmetry the C 10+ 60 , C 18+ 60 and C 28+ 60 species are stable with respect to fragmentation. The bonds in these cations lengthen with the increasing positive charge. The lengthening is more pronounced for the bonds connecting the five-membered rings than for those within the rings. The C 60 cluster is capable of losing more than 28 electrons, absorbing at least 1379 eV of energy in the process, before undergoing a highly symmetrical fragmentation. Such a fragmentation is predicted to involve preferential breaking of the “double” bonds, leading to positively charged C 5 fragments." @default.
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- W1965618648 date "1994-10-01" @default.
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- W1965618648 title "Ab initio electronic structure calculations on highly charged cations of the C60 cluster" @default.
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- W1965618648 doi "https://doi.org/10.1016/0168-1176(94)04035-4" @default.
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