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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Aug-2020 | /Bodsep_benzene nbo_d3h_benz_0_1_lt2_10_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Apr-2021 | sp_s12g_1Sc_B | Swart, Marcel | ADF; | Single point | S12g-x PBEc | TZ2P | - | |||
 | 26-Aug-2020 | /Bodsep_corrphycenes bodsep_corphyceneN2_-2_1_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 26-Aug-2020 | /Bodsep_benzene nbo_d3h_benz_0_1_lt2_05_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 16-Dec-2020 | moss_c1_1_5 | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 16-Dec-2020 | sp_opbe_c2_2_1 | Swart, Marcel | ADF; 2019; 304 | Single point | OPBE | TZ2P | - | |||
 | 26-Aug-2020 | /Bodsep_benzene nbo_d3h_benz_0_1_lt2_02_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 26-Aug-2020 | /Bodsep_benzene bodsep_d3h_benz_0_1_lt2_02_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 26-Aug-2020 | /Bodsep_benzene nbo_d3h_benz_0_1_lt2_01_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Apr-2021 | sp_s12g_3_A | Swart, Marcel | ADF; | Single point | S12g-x PBEc | TZ2P | - |
Results 71-80 of 799 (Search time: 0.001 seconds).