GENERAL INFO
| Title: | /NMR_IR/NMR/BP86/OMe/Glycidol_Me/Glycidol_2 Glycidol_2 |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/8483 |
| Program: | Gaussian 09 EM64L-G09RevD.01 |
| Author: | González Fabra, Joan |
| Formula: | C 4 H 8 O 2 |
| Calculation type: | Geometry optimization Minimum |
| Method(s): | RBP86 |
MOLECULAR INFO
| Charge / Multiplicity: | 0 1 |
Polarizable Continuum Model (PCM)
| Model: | PCM (using non-symmetric T matrix) |
| Atomic radii | SMD-Coulomb. |
| Solvent | Chloroform |
| Eps= 4.711300 | |
| Eps(inf)= 2.090627 |
