Volume 66, 1978

Molecular dynamics studies of hydrogen-bonded liquids

Abstract

A review is given of results obtained from computer simulation of the hydrogen bonded liquids HF, H2O and NH3. An assessment is made of the relative merits of potentials obtained by fitting to quantum mechanical calculations, gas phase data and solid state properties.

Article information

Article type
Paper

Faraday Discuss. Chem. Soc., 1978,66, 48-57

Molecular dynamics studies of hydrogen-bonded liquids

I. R. McDonald and M. L. Klein, Faraday Discuss. Chem. Soc., 1978, 66, 48 DOI: 10.1039/DC9786600048

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