An empirical intermolecular potential function for solid carbon dioxide

The problem of the formulation of a potential function for molecular crystals is discussed. An empirical form of potential for crystalline carbon dioxide is suggested which could be useful for analysis of neutron scattering experiments. The potential parameters are determined using known crystal pro...

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Bibliographic Details
Published in:Chemical physics letters 1971-01, Vol.11 (1), p.105-108
Main Authors: Donkersloot, M.C.A., Walmsley, S.H.
Format: Article
Language:English
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Summary:The problem of the formulation of a potential function for molecular crystals is discussed. An empirical form of potential for crystalline carbon dioxide is suggested which could be useful for analysis of neutron scattering experiments. The potential parameters are determined using known crystal properties.
ISSN:0009-2614
1873-4448
DOI:10.1016/0009-2614(71)80543-2