Title: | /Water/B3LYP-D3(BJ)_6-311+Gdp_mPW1P9W1_6-31+G(d,p) TS3 |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/216459 |
Program: | Gaussian 16 ES64L-G16RevC.01 |
Author: | Soysal, Esra Nur |
Formula: | C22H27N2O4 |
Calculation type: | Single point Structure |
Method(s): | RB3LYP |
Charge / Multiplicity: | 1 1 |