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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 7-Aug-2025 | ea_20250717_4z6j0_AlH6N_NH3_AlH3 | Andrew, Wang | Orca; 6.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -300.37554218059597; Eh | ||||
| 7-Aug-2025 | ea_20250717_jtuhz_AlH6P_PH3_AlH3 | Andrew, Wang | Orca; 6.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -586.26642982187889; Eh | ||||
| 7-Aug-2025 | ea_20250717_izr3b_AsH6B_AsH3_BH3 | Andrew, Wang | Orca; 6.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -2263.21829519116272; Eh | ||||
| 7-Aug-2025 | ea_20250717_8u4wx_PH3 | Andrew, Wang | Orca; 6.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -342.58955391544612; Eh | ||||
| 7-Aug-2025 | ea_20250717_mu3tv_GaH3 | Andrew, Wang | Orca; 6.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -1926.07220247706755; Eh | ||||
| 7-Aug-2025 | ea_20250717_ukn0o_AlH3 | Andrew, Wang | Orca; 6.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -243.86036819063466; Eh | ||||
| 7-Aug-2025 | ea_20250717_u101k_BH3 | Andrew, Wang | Orca; 6.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -26.56065104151025; Eh | ||||
| 7-Aug-2025 | ea_20250717_8672w_BH6P_PH3_BH3 | Andrew, Wang | Orca; 6.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -369.17112073201764; Eh | ||||
| 7-Aug-2025 | ea_20250717_6xz32_BH6N_NH3_BH3 | Andrew, Wang | Orca; 6.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -83.09161132627014; Eh | ||||
| 7-Aug-2025 | ea_20250717_6obk1_NH3 | Andrew, Wang | Orca; 6.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -56.47304535618169; Eh |
Results 11-20 of 20 (Search time: 0.001 seconds).