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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Nov-2024 | /No_solvation/Ti(pc)O-CO2_assembly CO2_unrelaxed_fragment | Nesterova, Oksana | Orca; 6.0.1; RELEASE | Single point | - | def2-TZVPPD | -188.62433438741780; Eh | |||
 | 28-Nov-2024 | /No_solvation/Zn(pc)-CO2_assembly CO2_unrelaxed_fragment | Nesterova, Oksana | Orca; 6.0.1; RELEASE | Single point | - | def2-TZVPPD | -188.62428404379386; Eh | |||
 | 28-Nov-2024 | /No_solvation/Zn(pc)-CO2_assembly Zn(pc)-CO2 | Nesterova, Oksana | Orca; 6.0.1; RELEASE | Single point | - | def2-TZVPPD | -3635.23072291461585; Eh |
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