Potential energy surfaces and rovibrational line lists for thioformyl cyanide
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https://zenodo.org/record/8192246
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资源简介：
Molpro restart files (ASCII) for the XSURF program of the potential energy and dipole moment surfaces of thioformyl cyanide (HCSCN) and its fully deuterated isotopologue. Rovibrational line list (ASCII) for HCSCN obtained from RVCI calculations. Data refer to the publication Thioformyl cyanide, HC(S)CN, revisited: Accurate rovibrational simulations for a molecule observed in interstellar clouds (http://dx.doi.org/10.1080/00268976.2023.2262059).
创建时间：
2023-10-19
