On functionalized fullerenes C 60 X n |
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| Authors: | Damir Vuki?evi? and Ante Graovac |
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| Institution: | (1) Department of Mathematics, University of Split, Nikole Tesle 12, Split, 21000, Croatia;(2) Department of Chemistry, University of Split, Nikole Tesle 12, Split, 21000, Croatia;(3) The Rugjer Bošković Institute, P.O. Box 180, Zagreb, 10002, Croatia |
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| Abstract: | Optimal configurations of functionalized fullerenes C
60
X
n
for n = 2, 4, 6, 8 have been determined by application of three topological stability measures. It has been found that the optimal
configurations with higher n contain optimal configurations with lower values of n. Two stability measures prefer configurations in which functional groups Xs are crowded while the third one points to configurations with isolated pairs of Xs. |
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| Keywords: | Buckminsterfullerene Functionalized fullerenes Aromaticity |
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