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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Oct-2021 | /dicobalt diCo_opt | Swart, Marcel | ADF; 2017 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 30-Jan-2022 | opt_c1_0_1_inp | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 30-Jan-2022 | opt_c1_0_3_inp | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 30-Jan-2022 | opt_c2-bu4nOX_1_1_inp | Swart, Marcel | ADF; 2019 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 30-Jan-2022 | opt_c2-bu4nRD_-1_5_inp | Swart, Marcel | ADF; 2019 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 30-Jan-2022 | opt_c1_0_5_inp | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 30-Jan-2022 | opt_c2-bu4n_0_4_inp | Swart, Marcel | ADF; 2019; 307 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 30-Jan-2022 | opt_c1ox_1_6_inp | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 18-Dec-2022 | /monocopper monoCu_Ctri-thf4_opt | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 18-Dec-2022 | /monocopper monoCu_CaltG3_opt | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - |
Results 51-60 of 506 (Search time: 0.001 seconds).