Dataset Closed Access
Kloditz, Roger;
Fichter, Sebastian;
Kaufmann, Sebastian;
Brunner, Tobias S.;
Kaden, Peter;
Patzschke, Michael;
Stumpf, Thorsten;
Roesky, Peter W.;
Schmidt, Moritz;
März, Juliane
NMR spectra for the complex series in the publication together with the xyz coordinates of the optimized complexes. An example input-file for ORCA v4.1.2 for the calculation of the wavefunction used for QTAIM is presented as well.
Files are not publicly accessible.
| All versions | This version | |
|---|---|---|
| Views | 1,342 | 1,342 |
| Downloads | 0 | 0 |
| Data volume | 0 Bytes | 0 Bytes |
| Unique views | 977 | 977 |
| Unique downloads | 0 | 0 |