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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 HOAc | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -228.93113421; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnMg CO2 | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -188.45808624; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnMg Int4_ZnMg | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -4229.01417873; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnMg Int3_ZnMg | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -4229.01974673; 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/ZnMg Int1_ZnMg | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -4040.28762551; 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 | |||
 | 31-May-2022 | /Catalytic_cycle/ZnMg cat_ZnMg | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -3730.94740479; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/MgZn Int4_MgZn | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -4229.04447130; Eh |
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