Visualizing vibrational normal modes of a single molecule. Neutral systems
DOI: 10.14469/hpc/5485 Metadata
Created: 2019-04-15 14:54
Last modified: 2019-04-26 16:08
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculations
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/5461 | Imaging vibrational normal modes of a single molecule. |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/5480 | Co(II)-Tetraphenylporphyrin, doublet, S4 symmetry E= -3295.11874942 G=-3294.586931 |
| 10.14469/hpc/5496 | Co(II)-Tetraphenylporphyrin, doublet, S4 symmetry, flat Ph, optimised as saddle=4, 7-3294.488667, DG = 61. |
| 10.14469/hpc/5538 | Co(II)-Tetraphenylporphyrin, quartet, C2, co-planar Ph, G=-3294.520680 |
| 10.14469/hpc/5500 | Co(II)-Tetraphenylporphyrin, quartet, C2, G=-3294.587768 |
| 10.14469/hpc/5542 | Co(II)-Tetraphenylporphyrin, quartet, C2v planar Ph, saddle=2 G=-3294.519852 |