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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 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 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 CHO_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -309.97364638; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnZn TS2_ZnZn_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -5810.97985280; Eh | |||
 | 31-May-2022 | /Catalytic_cycle/ZnMg poly_cyclohexene_carbonate_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -1037.88022259; 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 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 Int2_MgZn_sp | Welington de Lima, Lucas | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVP | -4042.82429355; Eh |
Results 21-30 of 39 (Search time: 0.001 seconds).