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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Apr-2023 | /adducts frq_opt_bnc6f53_w_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -7807.16430337; Eh | |||
 | 6-Apr-2023 | /adducts frq_optTS_alcl3_mo_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -4873.92411242; Eh | |||
 | 6-Apr-2023 | /transeff frq_opt_I_bcl3_re_0_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -4503.80064847; Eh | |||
 | 6-Apr-2023 | /transeff frq_opt_I_bPh3_re_0_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -3818.06508851; Eh | |||
 | 6-Apr-2023 | /adducts frq_optTS_bcl3_re_0_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -4666.21724787; Eh | |||
 | 6-Apr-2023 | /adducts frq_opt_bsh3_re_0_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -4481.92537770; Eh | |||
 | 6-Apr-2023 | /adducts frq_opt_bsh3_mo_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -4471.90664333; Eh | |||
 | 6-Apr-2023 | /adducts frq_opt_bsh3_w_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -4470.80377328; Eh | |||
 | 6-Apr-2023 | /adducts frq_opt_bnc6f53_re_0_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -7818.28230741; Eh | |||
 | 6-Apr-2023 | /adducts frq_opt_bc6f5_w_-1_1 | Martins, Frederico | Orca; 5.0.2; RELEASE | Single point Minimum | DFT | def2-TZVP | -5458.55614047; Eh |
Results 81-90 of 194 (Search time: 0.0 seconds).