Title: | /SP_PBEPBE_GD3MBJ_CHCl3 M4 |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/199916 |
Program: | Gaussian 16 ES64L-G16RevB.01 |
Author: | Occhipinti, Giovanni: Foscato, Marco: Jensen, Vidar R. |
Formula: | C31H37Cl2N3O3Ru |
Calculation type: | Single point Structure |
Method(s): | RPBEPBE - Grimme-D3(BJ) |
Charge / Multiplicity: | 0 1 |
Model: | PCM |
Atomic radii | UAHF |
Solvent | Chloroform |
Eps= 4.711300 | |
Eps(inf)= 2.090627 |