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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 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/ZnMg Int3_ZnMg_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -4231.51003774; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnMg Int4_ZnMg_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -4231.52659334; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnMg Int8a_ZnMg | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization | DFT | def2-SVP | -4767.67732453; 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 | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization TS | DFT | def2-SVP | -4040.56419679; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnMg TS3b_ZnMg | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization TS | DFT | def2-SVP | -4229.03723385; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnMg TS3a_ZnMg | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Geometry optimization TS | DFT | def2-SVP | -4538.68731898; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnMg TS3a_ZnMg_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -4541.47195018; 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 |
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