Assignments and signs of 13C-31P coupling constants from off-resonance proton decoupled 13C spectra |
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| Authors: | HJ Jakobsen T Bundgaard RS Hansen |
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| Institution: | Department of Chemistry , University of Aarhus , 8000, Aarhus C, Denmark |
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| Abstract: | The grand canonical ensemble is used to derive the first quantum correction (FQC) to the radial distribution function (RDF) for a fluid whose molecules interact with a potential which is an analytic function of distance. The low-order cluster integrals appearing in the density expansion of the RDF are evaluated on the Lennard-Jones (12-6) potential. The FQC to the isothermal compressibility and to the equation of state is discussed. |
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