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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 frq_bf3 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -324.70469107; Eh | |||
 | 6-Apr-2023 | /fia frq_FbOTf3_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -3010.53554519; Eh | |||
 | 6-Apr-2023 | /fia frq_Fbch33_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -244.70685141; Eh | |||
 | 6-Apr-2023 | /fia frq_sime3_1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -409.13799069; Eh | |||
 | 6-Apr-2023 | /fia frq_Fbsh3_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -1321.57128236; Eh | |||
 | 6-Apr-2023 | /fia frq_Fbbr3_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -7848.37069828; Eh | |||
 | 6-Apr-2023 | /fia frq_Fbi3_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -1018.60394521; Eh | |||
 | 6-Apr-2023 | /fia frq_Fboh3_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVP | -352.66031689; Eh | |||
 | 6-Apr-2023 | /adducts frq_optTS_bph3_re_0_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -3980.48102064; Eh | |||
 | 6-Apr-2023 | /fia frq_Fbnc6f53_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -4658.02478070; Eh |
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