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Published in 2017 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2016.10.052
Abstract: Abstract A neutron diffraction measurements and molecular dynamics simulations have been performed to study the hydrogen bonded structure of water-formamide mixtures. We showed that the calculated and measured total neutron diffraction radial distribution function agreed…
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Keywords:
hydrogen bonded;
topology;
formamide mixtures;
water formamide ... See more keywords
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Published in 2018 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.8b05874
Abstract: Molecular dynamics simulations of the liquid–vapor interface of water–formamide mixtures of different compositions, spanning the entire composition range, have been performed in the canonical (N, V, T) ensemble at 300 K. The layer of the…
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Keywords:
interface water;
vapor interface;
surface;
formamide mixtures ... See more keywords