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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Jan-2020 | c2DD_opt | Swart, Marcel | ADF; 2017 | Geometry optimization Quild | DFT | TZ2P | - | |||
 | 26-Aug-2020 | /Bodsep_benzene constr_opt_benzene2_inp | Swart, Marcel | ADF; 2019 | Geometry optimization Quild | S12g-x PBEc | TZ2P | - | |||
 | 17-Jan-2020 | c2DU_opt | Swart, Marcel | ADF; 2017 | Geometry optimization Quild | DFT | TZ2P | - | |||
 | 26-Aug-2020 | /Bodsep_benzene constr_opt_benzene1_inp | Swart, Marcel | ADF; 2019 | Geometry optimization Quild | S12g-x PBEc | TZ2P | - | |||
 | 30-Jan-2022 | opt_c4_0_1_inp | Swart, Marcel | ADF; 2019; 304 | Geometry optimization Quild | S12g-x PBEc | TZ2P | - | |||
 | 30-Jan-2022 | opt_c4_0_3_inp | Swart, Marcel | ADF; 2019; 304 | Geometry optimization Quild | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | /uv opt_ncpDMF_3dep_DMF | Martins, Frederico | ADF; 2019; 304 | Geometry optimization Quild | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | /uv opt_ncpDMF_DMF | Martins, Frederico | ADF; 2019; 304 | Geometry optimization Quild | S12g-x PBEc | TZ2P | - | |||
 | 20-Oct-2023 | ts_ic-CH220_2_5_2220187_out | Swart, Marcel | ADF; 2019; 304 | Geometry optimization Quild | 4. 2. 1 | TZ2P | - |
Results 1-9 of 9 (Search time: 0.001 seconds).