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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-May-2022 | /Catalytic_cycle/ZnMg CHO | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -309.63247534; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnMg TS1_ZnMg | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization TS | DFT | def2-SVP | -4040.56419679; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnMg Int8a_ZnMg_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -4770.71844965; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnMg TS1_ZnMg_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -4042.79658524; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnZn Int2_ZnZn | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -5619.88197269; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnZn Int1_ZnZn | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -5619.87092995; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnZn Int1_ZnZn_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -5622.30437585; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnZn Int3_ZnZn_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -5810.98971538; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/MgZn Int3_MgZn | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -4229.04353658; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/MgZn Int2_MgZn | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -4040.58075649; Eh |
Results 51-60 of 78 (Search time: 0.001 seconds).