Potential energy surfaces and rovibrational line list for cyclopropenone
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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 cyclopropenone. Rovibrational line list (ASCII) obtained from RVCI calculations. Data refer to the publication Comprehensive Quantum Chemical Analysis of the Microwave and Infrared Spectra of Cyclopropenone (https://doi.org/10.1021/acs.jpca.5c05429 ).
创建时间：
2025-06-06
