) the calculated relative C NMR spectra can be visualized as shown in Figure C NMR spectra for perfectly aligned, frozen CO2 (blue), gaseous CO2 (red) and an exemplary result from our simulations (green). The example given is the result from our rigid cell 400K simulation with 18 molecules of CO2. Reproduced under the terms of the Creative Commons Attribution 4.0 License. Copyright 2021, Zenodo.