%A H Liu
%A KD Jordan
%J Journal of Physical Chemistry A
%T Finite temperature properties of (CO<inf>2</inf>)<inf>n</inf> clusters
%X The parallel-tempering Monte Carlo procedure is used to characterize the (CO2)n, n = 6, 8, 13, and 19, clusters. The heat capacity curves of the n = 13 and 19 clusters are found to have pronounced peaks that can be associated with cluster melting. In addition, there is evidence of a low temperature "solid ? solid" transition in the case of (CO2)19. The low-energy minima and rearrangement pathways are determined and used to examine the complexity of the potential energy surfaces of the clusters.
%N 30
%P 5703 - 5709
%V 107
%D 2003
%R 10.1021/jp0345295
%L pittir18058