Title: | Fe2O(Cl)2(Lcyc)2-triplet |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/27254 |
Program: | Gaussian 09 EM64L-G09RevD.01 |
Author: | Fondevila, Adiran J. De Aguirre |
Formula: | C42H48Cl2Fe2N10O |
Calculation type: | Geometry optimization Minimum |
Method(s): | UB3LYP - Grimme-D3(BJ) |
Charge / Multiplicity: | 4 3 |
Model: | PCM (using non-symmetric T matrix) |
Atomic radii | SMD-Coulomb. |
Solvent | Acetonitrile |
Eps= 35.688000 | |
Eps(inf)= 1.806874 |