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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Feb-2024 | /Geometry_benchmark SubPc-LC-wHPBE | Escayola, Silvia | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RLC-wHPBE | CC-PVTZ | -1734.83875195; Eh | ||||
1-Feb-2024 | /Geometry_benchmark Pc-LC-wHPBE | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RLC-wHPBE | CC-PVTZ | -3445.67807914; Eh |
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