Theoretical calculation of a full-dimensional ab initio potential energy surface and prediction of infrared spectra for Xe–CS2
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DOI: 10.1039/c9ra03782a
Abstract: Contour plot (in cm−1) of the averaged intermolecular potential energy surface for Xe–CS2 with CS2 at the ν1 + ν3 excited state. read more here.
Keywords: energy surface; potential energy; calculation full; theoretical calculation ... See more keywords