Title: | /Racemization/From6RingTo5/Al_Cat/No_CO2/Scan_Alter Scan_Alter |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/8401 |
Program: | Gaussian 09 EM64L-G09RevD.01 |
Author: | González Fabra, Joan |
Formula: | C 31 H 36 Al 1 N 1 O 7 |
Calculation type: | Single point Structure |
Method(s): | - Grimme-D2 |
Charge / Multiplicity: | 0 1 |
Model: | PCM (using non-symmetric T matrix) |
Atomic radii | SMD-Coulomb. |
Solvent | Butanone |
Eps= 18.246000 | |
Eps(inf)= 1.901089 |