Potential energy surfaces and rovibrational line lists for cyclopropenethione
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Molpro restart files (ASCII) for the XSURF program of the potential energy and dipole moment surfaces of cyclopropenethione. Rovibrational line list (ASCII) obtained from RVCI calculations. Data refer to the publication Hunting for sulfur-containing molecules in space: a spectroscopic characterization of cyclopropenethione based on high-level ab initio calculations (https://doi.org/10.3847/1538-4357/ad73a0).
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Zenodo创建时间：
2024-08-26
