期刊
JOURNAL OF PHYSICAL CHEMISTRY A
卷 107, 期 38, 页码 7380-7389出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp030355f
关键词
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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.
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