Title: | TS2_(opt) |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/24779 |
Program: | Gaussian 16 AM64L-G16RevA.03 |
Author: | Villar-Yanez, Alba |
Formula: | C24H29N3O4 |
Calculation type: | Geometry optimization TS |
Method(s): | RwB97XD - Grimme-D2 |
Charge / Multiplicity: | 0 0 1 1 |
Full point group | C1 | NOp | 1 |
Model: | PCM |
Atomic radii | SMD-Coulomb. |
Solvent | Acetonitrile |
Eps= 35.688000 | |
Eps(inf)= 1.806874 |