GENERAL INFO
| Title: | ch3cooch3-cch-ts_6311+Gd |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/67096 |
| Program: | Gaussian 16 AM64L-G16RevA.03 |
| Author: | Morán, Lucía |
| Formula: | C5H7O2 |
| Calculation type: | Single point Structure |
| Method(s): | - Grimme-D3 |
MOLECULAR INFO
| Charge / Multiplicity: | -1 1 |
Polarizable Continuum Model (PCM)
| Model: | PCM |
| Atomic radii | SMD-Coulomb. |
| Solvent | Water |
| Eps= 78.355300 | |
| Eps(inf)= 1.777849 |
