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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Apr-2023 | /electrochem frq_opt_bPh3_re_0_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -3980.48104651; Eh | |||
 | 6-Apr-2023 | /electrochem frq_opt_bcl3_re_1_2 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -4666.02170805; Eh | |||
 | 6-Apr-2023 | /electrochem frq_opt_re_-1_2 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -3260.48689586; Eh | |||
 | 6-Apr-2023 | /electrochem frq_opt_bc2f53_re_0_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -5012.37911308; Eh | |||
 | 6-Apr-2023 | /electrochem frq_opt_bc2f53_re_-1_2 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -5012.45237743; Eh | |||
 | 6-Apr-2023 | /electrochem frq_opt_bc2f53_re_2_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -5011.95686062; Eh | |||
 | 6-Apr-2023 | /electrochem frq_opt_bi3_re_-1_2 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -4179.05721390; Eh | |||
 | 6-Apr-2023 | /electrochem frq_opt_bch3_re_-1_2 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -3405.13712043; Eh | |||
 | 6-Apr-2023 | /electrochem frq_opt_bcl3_re_0_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -4666.21727136; Eh | |||
 | 6-Apr-2023 | /electrochem frq_opt_bh3_re_1_2 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -3286.90644074; Eh |
Results 41-50 of 194 (Search time: 0.0 seconds).