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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Apr-2023 | /fia Fbi3_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Geometry optimization | DFT | def2-TZVP | -1018.11757808; Eh | |||
 | 6-Apr-2023 | /fia Fbph3_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Geometry optimization | DFT | def2-TZVP | -820.00330587; Eh | |||
 | 6-Apr-2023 | /fia Fbsh3_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Geometry optimization | DFT | def2-TZVP | -1320.75040843; Eh | |||
 | 6-Apr-2023 | /fia Fbcl3_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Geometry optimization | DFT | def2-TZVP | -1505.73519313; Eh | |||
 | 6-Apr-2023 | /fia Fbh3_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Geometry optimization | DFT | def2-TZVP | -126.55358890; Eh | |||
 | 6-Apr-2023 | /fia Fbf3_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Geometry optimization | DFT | def2-TZVP | -424.62696969; Eh | |||
 | 6-Apr-2023 | /fia bsh3 | Martins, Frederico | Orca; 5.0.2; RELEASE | Geometry optimization | DFT | def2-TZVP | -1220.70984234; Eh | |||
 | 6-Apr-2023 | /fia FbOTf3_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Geometry optimization | DFT | def2-TZVP | -3010.47872288; Eh | |||
 | 10-Apr-2024 | explsolv_alc6f5 | Martins, Frederico | Orca; 5.0.4; RELEASE | Geometry optimization | DFT | def2-TZVP | -2698.53617358; Eh | |||
 | 10-Apr-2024 | explsolv_bc6f5 | Martins, Frederico | Orca; 5.0.4; RELEASE | Geometry optimization | DFT | def2-TZVP | -2480.78339420; Eh |
Results 31-40 of 49 (Search time: 0.001 seconds).