Title: | /functional_selection/energy_calc s0_energy_wb97xd_3j |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/311935 |
Program: | Gaussian 16 ES64L-G16RevC.01 |
Author: | Mayer, Péter |
Formula: | C38H24 |
Calculation type: | Single point Structure |
Method(s): | RwB97XD - Grimme-D2 |
Charge / Multiplicity: | 0 1 |
Full point group | C1 | NOp | 1 |