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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 CO2_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -188.68154376; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnMg Int2_ZnMg_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -4042.82146942; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnMg Int7a_ZnMg_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -4770.69835953; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnMg cis-CHC_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -498.67612053; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnMg HOAc_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -229.20109202; 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_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -4770.71844965; 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 Int4_ZnZn_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -5811.00506309; Eh |
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