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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Apr-2024 | /1_1 frq_explsolv_opt_w_al | Martins, Frederico | Orca; 5.0.4; RELEASE | Single point Minimum | DFT | def2-TZVP | -5142.01056659; Eh | |||
| 10-Apr-2024 | /1_1 frq_explsolv_opt_w_b | Martins, Frederico | Orca; 5.0.4; RELEASE | Single point Minimum | DFT | def2-TZVP | -4924.34553978; Eh | |||
| 10-Apr-2024 | frq_explsolv_alc6f5 | Martins, Frederico | Orca; 5.0.4; RELEASE | Single point Minimum | DFT | def2-TZVP | -2698.54342531; Eh | |||
| 10-Apr-2024 | /2_1 frq_opt_w_al_2cis | Martins, Frederico | Orca; 5.0.4; RELEASE | Single point Minimum | DFT | def2-TZVP | -7840.57448895; Eh | |||
| 10-Apr-2024 | frq_expsolv_bc6f5 | Martins, Frederico | Orca; 5.0.4; RELEASE | Single point Minimum | DFT | def2-TZVP | -2480.90746196; Eh | |||
| 10-Apr-2024 | frq_w | Martins, Frederico | Orca; 5.0.4; RELEASE | Single point Minimum | DFT | def2-TZVP | -2443.43902381; Eh | |||
| 10-Apr-2024 | /1_1 frq_es_opt148_w_b_1_inp | Martins, Frederico | Orca; 5.0.4; RELEASE | Single point Minimum | DFT | def2-TZVP | -4924.34966579; Eh |
Results 1-7 of 7 (Search time: 0.0 seconds).