Title: | TS2 |
Browse item: | https://iochem.udg.edu:8443/browse/handle/100/1646 |
Program: | Gaussian 16 ES64L-G16RevA.03 |
Author: | montilla, marc |
Formula: | C24H26HeN4O2 |
Calculation type: | Single point Structure |
Method(s): | RrevTPSSrevTPSS - Grimme-D3(BJ) |
Charge / Multiplicity: | 1 1 |
Full point group | C1 | NOp | 1 |
Model: | PCM |
Atomic radii | SMD-Coulomb. |
Solvent | Generic |
Eps= 16.700000 | |
Eps(inf)= 1.625625 |