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ab initio calculation (1) |
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NATURAL SCIENCES (3) |
ab initio calculation (1) |
C180 (1) |
CASTEP (1) |
chalcopyrites (1) |
crystal (1) |
density functional theory (3) |
endohedral (1) |
fullerene (1) |
KI (1) |
NATURAL SCIENCES (3) |