five

Replication Data for: Ab initio rovibrational spectroscopy of the acetylide anion

收藏
GRO.data2023-01-01 更新2026-04-17 收录
下载链接:
https://data.goettingen-research-online.de/citation?persistentId=doi:10.25625/YBLAAU
下载链接
链接失效反馈
官方服务:
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
二维码
社区交流群
二维码
科研交流群
商业服务