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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
5-Jul-2023 | TS_EF | DeSnoo, William | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RB3LYP | DEF2SVP | -7963.60465656; Eh | ||||
5-Jul-2023 | TS_GH | DeSnoo, William | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RB3LYP | DEF2SVP | -7963.58772664; Eh |
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