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- W2035507488 abstract "Most of the last decade's literature on liquid acetonitrile (dynamics and structure) is reviewed briefly and analysed with a computer simulation. This uses a 6 × 6 site-site model for the pair potential with electrodynamics approximated by point charges. The NMR relaxation data are fairly consistent with the results of the simulation, whereas the data from infra-red and dielectric spectroscopy are not. The major sources of this disagreement are a) long-ranged orientational cross-correlation due to association and b) polarisability effects, which are not accounted for in the computer simulation." @default.
- W2035507488 created "2016-06-24" @default.
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- W2035507488 date "1983-05-01" @default.
- W2035507488 modified "2023-09-26" @default.
- W2035507488 title "Molecular dynamics and structure of liquid acetonitrile - a review and computer simulation." @default.
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- W2035507488 doi "https://doi.org/10.1016/0167-7322(83)80017-8" @default.
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