Title: | /SP_PBEPBE_GD3MBJ_C6H6 Ru20_9 |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/312018 |
Program: | Gaussian 16 ES64L-G16RevC.01 |
Author: | Foscato, Marco: Giovanni, Occhipinti: Sondre H., Hopen Eliasson: Vidar R., Jensen |
Formula: | C34H52Cl2N2Ru |
Calculation type: | Single point Structure |
Method(s): | RPBEPBE - Grimme-D3(BJ) |
Charge / Multiplicity: | 0 1 |
Model: | PCM |
Atomic radii | UAHF |
Solvent | Benzene |
Eps= 2.270600 | |
Eps(inf)= 2.253301 |