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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Aug-2020 | /Bodsep_porphyrins bodsep_ca1_inp | Swart, Marcel | ADF; 2017 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 26-Aug-2020 | /Bodsep_porphyrins bodsep_co2_inp | Swart, Marcel | ADF; 2017 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 26-Aug-2020 | /Bodsep_porphyrins bodsep_mg1_inp | Swart, Marcel | ADF; 2017 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 26-Aug-2020 | /Bodsep_porphyrins bodsep_mn2_inp | Swart, Marcel | ADF; 2017 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 26-Aug-2020 | /Bodsep_porphyrins bodsep_mn4_inp | Swart, Marcel | ADF; 2017 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Apr-2021 | sp_s12g_4_B | Swart, Marcel | ADF; | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Apr-2021 | sp_s12g_4Sc_A | Swart, Marcel | ADF; | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Apr-2021 | sp_s12g_3_C | Swart, Marcel | ADF; | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Apr-2021 | sp_s12g_4_C | Swart, Marcel | ADF; | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Apr-2021 | sp_s12g_4_A | Swart, Marcel | ADF; | Single point | S12g-x PBEc | TZ2P | - |
Results 51-60 of 799 (Search time: 0.001 seconds).