C60+C60 molecular bonding revisited and expanded

Several dimerization products of fullerene C60 are presented and thoroughly characterized with a quantum chemical DFT model augmented by dispersion. We reanalyze expand significantly the number known dimers from 12 to 41. Many novel bonding schemes were found analyzing more than 2 ns high energy molecular dynamics semiempirical trajectories AutoMeKin, methodology previously used compute reactivity much smaller molecules. For completeness, this was supplemented structures built different geometric considerations. Also, spin-polarization explicitly considered yielding new magnetic ground states. The results comprehensively analyzed discussed in context yet be explained 3D recent 2D systems.