Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-Jan-2022 | frq_c2_-1_6_inp | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | ||||
30-Jan-2022 | moss_c1_0_5_inp | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | ||||
30-Jan-2022 | frq_c4_0_1_inp | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | ||||
30-Jan-2022 | opt_c1_0_5_inp | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | ||||
30-Jan-2022 | opt_c2-bu4n_0_4_inp | Swart, Marcel | ADF; 2019; 307 | Single point Quild | S12g-x PBEc | TZ2P | - | ||||
30-Jan-2022 | opt_c1ox_1_6_inp | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - |
Results 21-26 of 26 (Search time: 0.001 seconds).