Title: | 1k |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/19837 |
Program: | Gaussian 09 EM64L-G09RevD.01 |
Author: | Funes-Ardoiz, Ignacio |
Formula: | C17H20FNO2S |
Calculation type: | Single point Structure |
Method(s): | RB3LYP - Grimme-D3 |
Charge / Multiplicity: | 0 1 |
Model: | PCM (using non-symmetric T matrix) |
Atomic radii | SMD-Coulomb. |
Solvent | Toluene |
Eps= 2.374100 | |
Eps(inf)= 2.238315 |