D_6h c₃₆ molecular dynamics simulations

The thermodynamic properties, the stability and the endohedral complex formation of the C₃₆ molecule are studied by means of molecular dynamics simulations. At temperature ∼ 3000 K, the C₃₆ is undergoing the transition from solid-like phase to liquid-like phase. The C₃₆ can rebound without dissociation in the case of the collision of C₃₆ with a graphite (0001) surface. The endohedral cavity of the C₃₆ chemistry is large enough to contain an atom or small molecule similar to the C₆₀ cage. Changes in the endohedral insertion mechanism with projectile size are discussed.