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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_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 | - | ||||
26-Aug-2020 | /Bodsep_corrphycenes opt_corphycene_-2_1_inp | Swart, Marcel | ADF; 2019 | Single point Quild | S12g-x PBEc | TZ2P | - | ||||
26-Aug-2020 | /Bodsep_benzene nbo_d3h_benz_0_1_lt2_06_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | ||||
26-Aug-2020 | /Bodsep_benzene nbo_d3h_benz_0_1_lt2_11_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | ||||
26-Aug-2020 | /Bodsep_DPND bodsep_pyrrole_0_1_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | ||||
26-Aug-2020 | /Bodsep_benzene nbo_d3h_benz_0_1_lt02_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | ||||
26-Aug-2020 | /Bodsep_benzene nbo_d3h_benz_0_1_lt03_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | ||||
26-Aug-2020 | /Bodsep_benzene nbo_d3h_benz_0_1_lt01_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - |
Results 61-70 of 87 (Search time: 0.001 seconds).