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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/MgMg TS2_MgMg_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -2652.01563016; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/MgMg cat_MgMg | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -2151.65063643; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/MgMg cat_MgMg_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -2153.36556796; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/MgMg Int2_MgMg | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -2461.28221524; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/MgMg TS1_MgMg | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization TS | DFT | def2-SVP | -2461.27111608; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/MgMg TS2_MgMg | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization TS | DFT | def2-SVP | -2649.74842584; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnZn Int4_ZnZn | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -5808.34713474; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/MgMg Int3_MgMg | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization | DFT | def2-SVP | -2649.75482913; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/MgMg Int3_MgMg_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -2652.01997559; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnMg Int6b_ZnMg | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -4229.07208189; Eh |
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