Abstract
New measurements of neutron diffraction data for four samples involving H/D isotopic substitution on the hydroxyl hydrogen of liquid formic acid at 20 °C are reported. The results are combined with earlier measurements on [H/D]COOD to provide a full range of data. The determination of molecular conformation and bond-lengths has been made with a partial form-factor formalism and also using the “Monte Carlo determination of g(r)” technique. The partial real-space correlation functions, RR, RH and HH are evaluated in each case and compared with existing computer simulations.
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