Rotational dynamics and polymerization of C${}_{60}$ in C${}_{60}$-cubane crystals: A molecular dynamics study

Vitor R. Coluci, Fernando Sato, Scheila F. Braga +2

We report classical and tight-binding molecular dynamics simulations of the C${}_{60}$ fullerene and cubane molecular crystal in order to investigate intermolecular dynamics and poly…