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- W1505288552 abstract "We present results of Monte Carlo simulations of chains of C60 and chains of C70 molecules encapsulated in a single-walled carbon nanotube (SWCNT). We observe the changes in the configuration of the fullerene molecules when varying tube radius and temperature. In particular, the evolution of the pair correlation functions reveal a transition from linear harmonic chain behavior to a hard-sphere liquid upon heating, demonstrating the possibility of tuning properties of C60- and C70@SWCNT peapods with radius and temperature." @default.
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- W1505288552 date "2012-05-01" @default.
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- W1505288552 title "Monte Carlo Studies of C60- and C70-Peapods" @default.
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- W1505288552 doi "https://doi.org/10.1080/1536383x.2012.655190" @default.
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