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. |
---|---|---|---|---|---|---|---|---|---|---|---|
4-Oct-2021 | /dicopper diCu_E_asym_uv | Swart, Marcel | ADF; 2017 | Single point | S12g-x PBEc | TZ2P | - | ||||
30-Jan-2022 | opt_c2-bu4n_0_6_inp | Swart, Marcel | ADF; 2019; 307 | Single point Quild | S12g-x PBEc | TZ2P | - | ||||
4-Oct-2021 | /dicopper diCu_D_opt | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | ||||
4-Oct-2021 | /dicopper diCu_D_frq | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | ||||
4-Oct-2021 | /dicopper diCu_DaltB_opt | Swart, Marcel | ADF; 2017 | Single point Quild | S12g-x PBEc | TZ2P | - | ||||
4-Oct-2021 | /dicopper diCu_DaltB_frq | Swart, Marcel | ADF; 2017 | Single point | S12g-x PBEc | TZ2P | - | ||||
4-Oct-2021 | /dicopper diCu_D_uv | Swart, Marcel | ADF; 2017 | Single point | S12g-x PBEc | TZ2P | - | ||||
30-Jan-2022 | opt_c2-lithf_0_6_inp | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | ||||
30-Jan-2022 | opt_c2-lithf_0_4_inp | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | ||||
30-Jan-2022 | opt_c2-lithf_0_2_inp | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - |
Results 151-160 of 903 (Search time: 0.001 seconds).