Title: | /cyc/ox1 d_cyc_17_34_1_x01-100 |
Browse item: | https://iochem.udg.edu:8443/browse/handle/100/3234 |
Program: | Gaussian 16 ES64L-G16RevC.01 |
Author: | Blancafort, Lluís |
Formula: | C16H8N2O4 |
Calculation type: | Geometry optimization Minimum |
Method(s): | RCAM-B3LYP TD-FC |
Charge / Multiplicity: | 0 1 |
Full point group | C1 | NOp | 1 |
Model: | PCM |
Atomic radii | SMD-Coulomb. |
Solvent | Water |
Eps= 78.355300 | |
Eps(inf)= 1.777849 |