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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_BDconf | DeSnoo, William | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | DEF2SVP | -7963.59318783; Eh | ||||
5-Jul-2023 | TS_CD | DeSnoo, William | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | DEF2SVP | -7963.58936446; Eh | ||||
5-Jul-2023 | TS_AB | DeSnoo, William | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | DEF2SVP | -7963.59367270; Eh |
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