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首页> 外文期刊>journal of chemical physics >Intermolecular potentials and isotope effects for molecular hydrogenndash;inert gas complexes
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Intermolecular potentials and isotope effects for molecular hydrogenndash;inert gas complexes

机译:Intermolecular potentials and isotope effects for molecular hydrogenndash;inert gas complexes

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An exact power series expansion is derived which interrelates the coefficients of the Legendre expansions for an atomndash;diatomic molecule potential function expanded about the centers of mass of two different isotopes of the diatomic. Its application to the anisotropic potential recently obtained for H2ndash; and D2ndash;Ar yields a potential for HDndash;Ar, which is then used to predict the transition frequencies in the infrared absorption spectrum of the latter. The relatively large discrepancies between these predictions and the recent measurements of McKellar lsqb;J. Chem. Phys. 61, 4636 (1974)rsqb; are attributed to the unusual sensitivity of such predictions to the shape of the isotropic potential in the region between its minimum atRe(0)and its zero energy turning point, sgr;(0).

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