Abstract: Molecular dynamical simulations of C₃₆ are performed under gaseous growth conditions at about 2 300 K. Probabilities of 20 lowest energy isomers in resultant clusters are calculated. It shows that C₃₆ system reaches a kinetic equilibrium within about 100 nanoseconds and the most probable isomer is a D_2d cage rather than a D_6h cage,though the later has the lowest potential. Several bowl isomers with higher potential energy and free energy appear with comparable probabilities rather than classical isomers.

Key words: cluster, C₃₆, molecular dynamic, free energy