The feasibility of a direct refinement of estimated force constants to the profiles of observed vibrational inelastic neutron-scattering (i.n.s.) spectra is examined. A method is presented and its value to chemical molecular spectroscopy is assessed by an analysis of the i.n.s. spectrum of CH3CCo3(CO)9.
G. J. Kearley, J. Chem. Soc., Faraday Trans. 2, 1986, 82, 41 DOI: 10.1039/F29868200041
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