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  • Title: Structure of liquid n-hexane.
    Author: Venturi G, Formisano F, Cuello GJ, Johnson MR, Pellegrini E, Bafile U, Guarini E.
    Journal: J Chem Phys; 2009 Jul 21; 131(3):034508. PubMed ID: 19624210.
    Abstract:
    The structure of deuterated liquid n-hexane has been investigated at room temperature by neutron diffraction and molecular dynamics simulations. By carrying out a careful analysis of the measurements, experimental data were obtained in very good agreement with the simulated data. This allowed a thorough analysis of the simulation results aiming at the evaluation of the partial, intra-, and intermolecular components of the n-hexane structure. We finally compare the intramolecular differential cross sections calculated from the most probable n-hexane molecular configurations with the measured and simulated data.
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