Potential energy surface and iine lists for dipole and quadrupole-allowed rovibrational transitions of ethylene
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Molpro restart files (ASCII) for the XSURF program of the potential energy surface, the dipole moment surface and the quadrupole surfaces of etylene. Rovibrational line list (ASCII) obtained from RVCI calculations. Data refer to the publication Quantum chemical simulations of electric quadrupole transitions in the microwave and infrared spectral regions of ethylene (https://doi.org/10.1080/00268976.2025.2538605).
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Zenodo创建时间：
2025-08-01
