Title: | TS1(Opt) |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/225 |
Program: | Gaussian 09 EM64L-G09RevD.01 |
Author: | Serapian, Stefano |
Formula: | C 84 H 88 Ir 1 N 8 O 18 |
Calculation type: | Geometry optimization TS |
Method(s): | RPBEPBE |
Charge / Multiplicity: | 1 1 |