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Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cn03-c1/3e-pcy3-6cn03-c1-orcasp 3e_pcy3_6cn03_c1 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1975.64016678; Eh | |||
 | 6-Jun-2025 | CH4 | Andrew, Wang | Orca; 6.0.1; RELEASE | Geometry optimization Minimum | DFT | 6-31g* | -40.48174761116672; Eh |
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