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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 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 | - |
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