Theoretical Study on the Rotational Spectra of Ar-D232S Complex
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Graphical Abstract
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Abstract
We report a theoretical study on the rotational spectra of Ar-D232S. The intermolecular po-tential energy surface was transformed from our latest ab initio three-dimensional potentialof Ar-D232S. The rotational energy levels and wavefunctions of the complex were calcu-lated by using the radial discrete variable representation/angular finite basis representation method and the Lanczos algorithm. The calculated rotational transition frequencies and structural parameters were found to be in good agreement with the available experimental
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