"Theoretical calculation of a full-dimensional ab initio potential energy surface and prediction of infrared spectra for Xe

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Contour plot (in cm−1) of the averaged intermolecular potential energy surface for Xe–CS2 with CS2 at the ν1 + ν3 excited state. Click to show full abstract

Contour plot (in cm−1) of the averaged intermolecular potential energy surface for Xe–CS2 with CS2 at the ν1 + ν3 excited state.

Keywords: energy surface; potential energy; calculation full; theoretical calculation

Journal Title: RSC Advances
Year Published: 2019

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