GENERAL INFO
| Title: | Mo-ts-6-7-Li |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/193737 |
| Program: | Gaussian 09 ES64L-G09RevD.01 |
| Author: | Artus Suarez, Lluis |
| Formula: | C26H47LiMoN2O3P2 |
| Calculation type: | Geometry optimization Minimum |
| Method(s): | RM06 |
MOLECULAR INFO
| Charge / Multiplicity: | 0 1 |
Frozen section
Full point group
| Full point group | C1 | NOp | 1 |
Polarizable Continuum Model (PCM)
| Model: | PCM (using non-symmetric T matrix) |
| Atomic radii | SMD-Coulomb. |
| Solvent | Toluene |
| Eps= 2.374100 | |
| Eps(inf)= 2.238315 |
