Browsing by Subject Electronic structure
Showing results 170 to 175 of 175
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Mar-2023 | /uv uv_bodsep_Mo_monomer_DMF_2_2 | Martins, Frederico | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | /uv uv_bodsep_Os_monomer_DMF_0_2 | Martins, Frederico | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | /uv uv_bodsep_Os_monomer_DMF_2_2 | Martins, Frederico | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | /uv uv_bodsep_Rh_monomer_DMF_1_2 | Martins, Frederico | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | /uv uv_ncp_2dep_DMF | Martins, Frederico | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | /uv uv_ncpDMF_2dep_DMF | Martins, Frederico | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - |