Potential energy surfaces and rovibrational line lists for trans and cis-HNPH
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Molpro restart files (ASCII) for the XSURF program of the potential energy and dipole moment surfaces of trans and cis-HNPH. Rovibrational line list (ASCII) obtained from RVCI calculations. Data refer to the publication Computational high-resolution molecular spectroscopy of iminophosphane, HNPH, a candidate for astrophysical observations (https://doi.org/10.1016/j.jms.2026.112130).
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Zenodo创建时间：
2026-07-28
