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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 bc2f5 | Martins, Frederico | Orca; 5.0.2; RELEASE | Geometry optimization | DFT | def2-TZVP | -1751.87033840; Eh | |||
 | 6-Apr-2023 | /fia bbr3 | Martins, Frederico | Orca; 5.0.2; RELEASE | Geometry optimization | DFT | def2-TZVP | -7748.21257639; Eh | |||
 | 6-Apr-2023 | /hia Hbsh3_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Geometry optimization | DFT | def2-TZVP | -1221.40695911; Eh | |||
 | 6-Apr-2023 | /hia Hbi3_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Geometry optimization | DFT | def2-TZVP | -918.88515885; Eh | |||
 | 6-Apr-2023 | /hia HbOTf3_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Geometry optimization | DFT | def2-TZVP | -2911.17416296; Eh | |||
 | 6-Apr-2023 | /hia Hbc2f5_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Geometry optimization | DFT | def2-TZVP | -1752.70346534; Eh | |||
 | 6-Apr-2023 | /hia Hbph3_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Geometry optimization | DFT | def2-TZVP | -720.73472146; Eh | |||
 | 6-Apr-2023 | /hia Hboh3_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Geometry optimization | DFT | def2-TZVP | -253.28127072; Eh | |||
 | 6-Apr-2023 | /hia Hbbr3_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Geometry optimization | DFT | def2-TZVP | -7748.86353594; Eh | |||
 | 6-Apr-2023 | /hia Hbh3_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Geometry optimization | DFT | def2-TZVP | -27.19716089; Eh |
Results 11-20 of 40 (Search time: 0.001 seconds).