Harmonic vibrational frequencies of the structures of iCOMs adsorbed at the surface of the crystalline ice model

Description

This dataset contains the CRYSTAL17 output files for the harmonic vibrational frequencies calculations of the structures of iCOMs adsorbed at the surface of  a periodic model of a crystalline water ice.

Resources

Name Format Description Link
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-7385445
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-7385445

Tags

Topics

Categories