Title: | TS1 |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/19918 |
Program: | Gaussian 09 EM64L-G09RevA.02 |
Author: | Besora, Maria |
Formula: | C52H53N3O8S |
Calculation type: | Geometry optimization TS |
Method(s): | RB3LYP |
Charge / Multiplicity: | 0 1 |
Full point group | C1 | NOp | 1 |