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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
21-Apr-2024 | 1triplet | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization Minimum | UM06L | DEF2SVP DEF2SVP/W06 | -1862.13349718; Eh | ||||
24-Jun-2022 | RuIII | Tanwar, Mayank | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UM06L | GENECP/AUTO | -2192.76986036; Eh |
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