Title: | /water/complexes aq-fenilomeconh35 |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/14217 |
Program: | Gaussian 09 EM64L-G09RevD.01 |
Author: | Besora, Maria |
Formula: | C 7 H 22 Co 1 N 5 O 1 |
Calculation type: | Single point Structure |
Method(s): | RB3LYP - Grimme-D3 |
Charge / Multiplicity: | 2 1 |
Full point group | C1 | NOp | 1 |
Model: | PCM (using non-symmetric T matrix) |
Atomic radii | UFF |
Solvent | Water |
Eps= 78.355300 | |
Eps(inf)= 1.777849 |