Journal of Physical Chemistry A, Vol.107, No.39, 7733-7742, 2003
Identification of a new C-3 structure and evidence for the coexistence of two (benzene)(13) cluster isomers in free jet expansions: A Monte Carlo study
Low-temperature Monte Carlo computations have been carried out to investigate minimum-energy structures of the (C6H6)(13) cluster. The simulations have identified a new cluster structure Of C-3 symmetry that is distinct from previously identified structures. The newly identified isomer is found to occupy an isolated region of the potential energy surface; this finding strengthens the hypothesis that distinct isomeric forms coexist within experimental cluster beams.