GENERAL INFO
| Title: | /SP_PBEPBE_GD3MBJ_CHCl3 M33 |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/199890 |
| Program: | Gaussian 16 ES64L-G16RevB.01 |
| Author: | Occhipinti, Giovanni: Foscato, Marco: Jensen, Vidar R. |
| Formula: | C26H35Cl2NRu |
| Calculation type: | Single point Structure |
| Method(s): | RPBEPBE - Grimme-D3(BJ) |
MOLECULAR INFO
| Charge / Multiplicity: | 0 1 |
Polarizable Continuum Model (PCM)
| Model: | PCM |
| Atomic radii | UAHF |
| Solvent | Chloroform |
| Eps= 4.711300 | |
| Eps(inf)= 2.090627 |
