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- W2019760109 abstract "Abstract The center-of-mass velocity autocorrelation function of liquid HF is examined by means of a velocity field approach, originally developed for monatomic liquids and subsequently tested for liquid water. The basic ingredients of the approach (the wavevector-dependent current correlations) are evaluated by computer simulations in a model HF system using a recently developed intermolecular potential. The theory is found to reproduce the relevant features of self-dynamics in HF. The main advantage of the approach is the decomposition of single-molecule motion into longitudinal and transverse contributions, which provides information clarifying the origin of the peculiarities of HF dynamics. A comparison with the results for H 2 O is presented, with the aim of stressing the different behavior of these two hydrogen-bonded systems." @default.
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- W2019760109 date "1999-12-01" @default.
- W2019760109 modified "2023-10-17" @default.
- W2019760109 title "Analysis of single-molecule dynamics in liquid HF" @default.
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- W2019760109 doi "https://doi.org/10.1016/s0009-2614(99)01161-6" @default.
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