Replication Data for: Ab initio rovibrational spectroscopy of the acetylide anion
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资源简介:
Replication data for the publication B. Schröder, Ab initio rovibrational spectroscopy of the acetylide anion, J. Mol. Spectrosc., 2023. The data set contains the following: 1) raw data used to fit the adiabatic PES for HCC- isotopologues. Filename: hccm_pes_ab_initio_data.tar.gz Multiple files are included in the archive 2) raw data used to fit the EMDS for HCC-. Filename: hccm_edms_ab_initio_data.tar.gz Multiple files are included in the archive 3) Output files of the variational calculations produced with C8VPRO Filename: hccm_c8vpro.tar.gz Multiple files are included in the archive 4) Linelist (T = 300 K) for H12C12C- Filename: h12c12cm_linelist.tar.gz
创建时间:
2023-01-01



