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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
4-Aug-2023 | /campaign/mol_2/comb T4S | Garcia, Sergio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-SVP | - | ||||
4-Aug-2023 | /campaign/mol_1/comb T2S | Garcia, Sergio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-SVP | - | ||||
4-Aug-2023 | /workflow/mol_1/comb T2S | Garcia, Sergio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-SVP | - | ||||
4-Aug-2023 | /workflow/mol_1/comb T2T | Garcia, Sergio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-SVP | - | ||||
4-Aug-2023 | /workflow/mol_1 SOC | Garcia, Sergio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-SVP | - | ||||
4-Aug-2023 | /campaign/mol_2/comb T4T | Garcia, Sergio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-SVP | - | ||||
4-Aug-2023 | /workflow/mol_1/comb T3S | Garcia, Sergio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-SVP | - | ||||
4-Aug-2023 | /campaign/mol_1/comb T1S | Garcia, Sergio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-SVP | - | ||||
4-Aug-2023 | /campaign/mol_1/comb T1T | Garcia, Sergio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-SVP | - | ||||
4-Aug-2023 | /workflow/mol_1 NAC | Garcia, Sergio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-SVP | - |
Results 1-10 of 39 (Search time: 0.002 seconds).