Title: | /TA_TT_energy_study Bach_iPr_TT_TS1_CBr3_log |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/216511 |
Program: | Gaussian 09 AM64L-G09RevD.01 |
Author: | Guo, Wentao |
Formula: | C21H25Br3O10Rh2 |
Calculation type: | Geometry optimization TS |
Method(s): | RB3LYP |
Charge / Multiplicity: | 0 1 |