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Structural and electronic properties of cyanide-coated fullerene C-20@(CN)(n) (n=0-20): An ab initio approach
(Sprınger Heıdelberg, 2016)
Density functional theory calculations at the LDA level have been performed to investigate the geometrical structure, stabilities and electronic properties of cyanide-coated fullerene C-20@(CN)(n), with n = 0-20 in the ...