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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Mar-2023 | /Method_validation_structures opt_ClH2O_CrIII_porph_DMF_0_3 | Martins, Frederico | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | /Method_validation_structures opt_Cl2_MoIV_porph_DMF_0_0 | Martins, Frederico | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | /Method_validation_structures opt_Cl2_MoIV_porph_DMF_0_2 | Martins, Frederico | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | /Method_validation_structures opt_Cl2_OsIV_porph_DMF_0_2 | Martins, Frederico | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | /Method_validation_structures opt_Cl2_OsIV_porph_DMF_0_0 | Martins, Frederico | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | /Method_validation_structures opt_Cl_Rh_porph_DMF_0_2 | Martins, Frederico | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | opt_Cl_Os_monomer_DMF_1_0 | Martins, Frederico | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | /uv opt_ncpDMF_2dep_DMF | Martins, Frederico | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | /Method_validation_structures opt_Cl_Rh_porph_DMF_0_4 | Martins, Frederico | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | opt_Cl_Mo_monomer_DMF_1_2 | Martins, Frederico | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - |
Results 21-30 of 69 (Search time: 0.0 seconds).