Title: | /NMR_IR/NMR/BP86/OMe/IC_Me/IC_Me_2/Opt Opt |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/8487 |
Program: | Gaussian 09 EM64L-G09RevD.01 |
Author: | González Fabra, Joan |
Formula: | C 31 H 38 Al 1 N 1 O 5 |
Calculation type: | Geometry optimization Minimum |
Method(s): | RB3LYP |
Charge / Multiplicity: | 0 1 |
Model: | PCM (using non-symmetric T matrix) |
Atomic radii | SMD-Coulomb. |
Solvent | Chloroform |
Eps= 4.711300 | |
Eps(inf)= 2.090627 |