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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Jan-2021 | W1 | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GENECP | - | |||
 | 9-Jan-2021 | W10 | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GENECP | - | |||
 | 30-Oct-2023 | _W10O32__4-_B3LYP_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -429.761013; eV | |||
 | 30-Oct-2023 | _W10O32__4-_BP86_Acetonitrile_TZP_Li | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -364.442039; eV | |||
 | 30-Oct-2023 | _W10O32__4-_BP86_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -367.879638; eV | |||
 | 30-Oct-2023 | _W10O32__4-_BP86_Acetonitrile_TZP_TBA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -1478.174852; eV | |||
 | 30-Oct-2023 | _W10O32__4-_BP86_Acetonitrile_TZP_TMA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -700.883724; eV | |||
 | 30-Oct-2023 | _W10O32__4-_BP86_no_TZP_Li | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -363.209553; eV | |||
 | 30-Oct-2023 | _W10O32__4-_BP86_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -348.669294; eV | |||
 | 30-Oct-2023 | _W10O32__4-_BP86_no_TZP_TBA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -1474.885026; eV | |||
 | 30-Oct-2023 | _W10O32__4-_BP86_no_TZP_TMA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -696.937948; eV | |||
 | 30-Oct-2023 | _W10O32__4-_BP86_Water_TZP_Li | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -364.596621; eV | |||
 | 30-Oct-2023 | _W10O32__4-_BP86_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -368.246473; eV | |||
 | 30-Oct-2023 | _W10O32__4-_BP86_Water_TZP_TBA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -1478.773875; eV | |||
 | 30-Oct-2023 | _W10O32__4-_BP86_Water_TZP_TMA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -701.189571; eV | |||
 | 30-Oct-2023 | _W10O32__4-_PBE0_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -465.468158; eV | |||
 | 9-Jan-2021 | W11 | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GENECP | - | |||
 | 17-Apr-2023 | W12-1a-m11ext | Ohanessian, Gilles | Gaussian; 09; AS64L-G09RevD.01 | Single point Structure | RM11 | AUG-CC-PVTZ | -1616.785988; Eh | |||
 | 17-Apr-2023 | W12-1a-m11freq | Ohanessian, Gilles | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RM11 | 6-311++G(D,P) | -1616.59716653; Eh | |||
 | 17-Apr-2023 | W12-1b-m11ext | Ohanessian, Gilles | Gaussian; 09; AS64L-G09RevD.01 | Single point Structure | RM11 | AUG-CC-PVTZ | -1616.7859833; Eh |