期刊
JOURNAL OF CHEMICAL PHYSICS
卷 119, 期 22, 页码 11645-11653出版社
AMER INST PHYSICS
DOI: 10.1063/1.1624597
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The parallel-tempering Monte Carlo method is used in combination with a Drude model to characterize the (H2O)(6)(-) cluster over the 50-190 K temperature range. Chainlike structures are found to account for about 50% of the population at 190 K, whereas they are unimportant at the temperatures below about 130 K. At the lowest temperature considered, prismlike structures are dominant. Two new low-energy forms of (H2O)(6)(-) are identified. (C) 2003 American Institute of Physics.
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