Title: | 22 |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/9218 |
Program: | Gaussian 09 EM64L-G09RevD.01 |
Author: | Funes-Ardoiz, Ignacio |
Formula: | C 12 H 9 O 2 Rh 1 |
Calculation type: | Single point Structure |
Method(s): | RB97D - Grimme-D2 |
Charge / Multiplicity: | 0 1 |
Model: | PCM (using non-symmetric T matrix) |
Atomic radii | SMD-Coulomb. |
Solvent | o-Xylene |
Eps= 2.545400 | |
Eps(inf)= 2.266530 |