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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 bodsep_d3h_benz_0_1_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | | | |
 | 26-Aug-2020 | /Bodsep_benzene bodsep_d3h_benz_0_1_lt01_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | | | |
 | 26-Aug-2020 | /Bodsep_benzene bodsep_d3h_benz_0_1_lt02_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | | | |
 | 26-Aug-2020 | /Bodsep_benzene bodsep_d3h_benz_0_1_lt03_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | | | |
 | 26-Aug-2020 | /Bodsep_benzene bodsep_d3h_benz_0_1_lt04_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_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_lt07_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_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_lt10_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_lt2_01_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 bodsep_d3h_benz_0_1_lt2_03_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | | | |
 | 26-Aug-2020 | /Bodsep_benzene bodsep_d3h_benz_0_1_lt2_04_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | | | |
 | 26-Aug-2020 | /Bodsep_benzene bodsep_d3h_benz_0_1_lt2_05_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | | | |
 | 26-Aug-2020 | /Bodsep_benzene bodsep_d3h_benz_0_1_lt2_06_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | | | |
 | 26-Aug-2020 | /Bodsep_benzene bodsep_d3h_benz_0_1_lt2_07_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | | | |
 | 26-Aug-2020 | /Bodsep_benzene bodsep_d3h_benz_0_1_lt2_08_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | | | |