Potential energy surfaces and rovibrational line lists for propynal
收藏NIAID Data Ecosystem2026-03-14 收录
下载链接：
https://zenodo.org/record/7440036
下载链接
链接失效反馈官方服务：
资源简介：
Molpro restart file (ASCII) for the XSURF program of the potential energy and dipole moment surfaces of propynal. Line list (ASCII) for propynal obtained from RVCI calculations. Data refer to the publication "A theoretical study of propynal under interstellar conditions and beyond, covering low frequency infrared spectra, spectroscopic constants and hot bands" (https://doi.org/10.1093/mnras/stad251 ).
创建时间：
2023-01-24
