화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.107, No.38, 7380-7389, 2003
Parallel-tempering Monte Carlo study of (H2O)(n)=(6-9)
Parallel-tempering Monte Carlo simulations are used to characterize the finite temperature behavior of the (H2O)(n = 6-9) clusters. The heat capacities, quenched energy distributions, and Landau free energies are calculated and used to address the nature of the structural transformations that occur with increasing temperature.