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. |
---|---|---|---|---|---|---|---|---|---|---|---|
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 | - | ||||
26-Aug-2020 | /Bodsep_benzene nbo_d3h_benz_0_1_lt2_09_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | ||||
26-Aug-2020 | /Bodsep_corrphycenes bodsep_corphycene_-2_1_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | ||||
16-Dec-2020 | opt_c1_1_3 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | ||||
26-Aug-2020 | /Bodsep_benzene nbo_d3h_benz_0_1_lt2_03_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | ||||
26-Aug-2020 | /Bodsep_benzene nbo_d3h_benz_0_1_lt2_07_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | ||||
26-Aug-2020 | /Bodsep_benzene nbo_d3h_benz_0_1_lt10_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | ||||
16-Dec-2020 | opt_c1_1_5 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - |
Results 61-70 of 552 (Search time: 0.001 seconds).