Browsing by Author Khatun, Maya
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Feb-2023 | supporting_material | Khatun, Maya | Orca; 4.2.1; RELEASE | Geometry optimization | RHF; RI-SCS-MP2 | def2-TZVP; def2-TZVP/C | - |