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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
19-Nov-2020 | TS4BBn | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RM06L | DEF2TZVP DEF2TZVP/W06 | -1823.35744249; Eh | ||||
19-Nov-2020 | TS4BEt2 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RM06L | DEF2TZVP DEF2TZVP/W06 | -1710.19882199; Eh |
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