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_benzene bodsep_d3h_benz_0_1_lt06_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 26-Aug-2020 | /Bodsep_benzene bodsep_d3h_benz_0_1_lt05_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 26-Aug-2020 | /Bodsep_porphyrins bodsep_ti1_s2c_inp | Swart, Marcel | ADF; 2017 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 26-Aug-2020 | /Bodsep_porphyrins bodsep_ru5_inp | Swart, Marcel | ADF; 2017 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 26-Aug-2020 | /Bodsep_benzene bodsep_d3h_benz_0_1_lt09_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 26-Aug-2020 | /Bodsep_benzene bodsep_d3h_benz_0_1_lt11_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 26-Aug-2020 | /Bodsep_benzene bodsep_d3h_benz_0_1_lt08_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 26-Aug-2020 | /Bodsep_porphyrins bodsep_ni3_inp | Swart, Marcel | ADF; 2017 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 26-Aug-2020 | /Bodsep_porphyrins bodsep_pd3_inp | Swart, Marcel | ADF; 2017 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 16-Dec-2020 | frq_c1_1_3 | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - |
Results 21-30 of 889 (Search time: 0.0 seconds).
Discover
Subject