Title: | /CAM-B3LYP_absoption_spectra ZnPorphyrin_(P)_TD-CAM-B3LYP_cc-pvtz |
Browse item: | https://iochem.udg.edu:8443/browse/handle/100/5151 |
Program: | Gaussian 16 ES64L-G16RevA.03 |
Author: | Escayola, Silvia |
Formula: | C20H12N4Zn |
Calculation type: | Single point Structure |
Method(s): | RCAM-B3LYP TD-FC |
Charge / Multiplicity: | 0 1 |
Full point group | D4H | NOp | 16 |
Model: | PCM |
Atomic radii | UFF |
Solvent | Ethanol |
Eps= 24.852000 | |
Eps(inf)= 1.852593 |