Title: | /dispersion/Mn_12/Eo dispersion_Mn-12-O |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/193789 |
Program: | Gaussian 09 EM64L-G09RevA.02 |
Author: | Craig, Michael |
Formula: | C 30 H 24 Mn 2 N 6 O 4 |
Calculation type: | Single point Structure |
Method(s): |
Charge / Multiplicity: | 3 6 |
Full point group | C1 | NOp | 1 |
Model: | PCM |
Atomic radii | SMD-Coulomb. |
Solvent | Water |
Eps= 78.355300 | |
Eps(inf)= 1.777849 |