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• W2334700304 abstract "We present the first simulation study of bosonic clusters doped with an asymmetric top molecule. The path-integral Monte Carlo method with the latest methodological advance in treating rigid-body rotation [Noya, E. G.; Vega, C.; McBride, C. J. Chem. Phys.2011, 134, 054117] is employed to study a para-water impurity in para-hydrogen clusters with up to 20 para-hydrogen molecules. The growth pattern of the doped clusters is similar in nature to that of pure clusters. The para-water molecule appears to rotate freely in the cluster. The presence of para-water substantially quenches the superfluid response of para-hydrogen with respect to the space-fixed frame." @default.
• W2334700304 created "2016-06-24" @default.
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• W2334700304 date "2012-12-13" @default.
• W2334700304 modified "2023-10-05" @default.
• W2334700304 title "Simulating Asymmetric Top Impurities in Superfluid Clusters: A <i>para</i>-Water Dopant in <i>para</i>-Hydrogen" @default.
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• W2334700304 doi "https://doi.org/10.1021/jz3017705" @default.
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