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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
19-Nov-2020 | TS4BEt2 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RM06L | DEF2TZVP DEF2TZVP/W06 | -1710.19882199; Eh | ||||
19-Nov-2020 | TS4BBn | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RM06L | DEF2TZVP DEF2TZVP/W06 | -1823.35744249; Eh | ||||
22-Aug-2022 | /Gaussian TS3Aox | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization TS | UM06L | DEF2SVP DEF2SVP/W06 | -1559.35860485; Eh | ||||
22-Aug-2022 | /Gaussian TS3Box | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization TS | UM06L | DEF2SVP DEF2SVP/W06 | -1404.41976060; Eh | ||||
22-Aug-2022 | /Gaussian TS2 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RM06L | DEF2SVP DEF2SVP/W06 | -1558.33088118; Eh | ||||
22-Aug-2022 | /Gaussian TS0ox | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization TS | UM06L | DEF2SVP DEF2SVP/W06 | -1558.16868940; Eh | ||||
22-Aug-2022 | /Gaussian TS2ox | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | UM06L | DEF2SVP DEF2SVP/W06 | -1558.15186979; Eh | ||||
22-Aug-2022 | /Gaussian TS0 | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization TS | RM06L | DEF2SVP DEF2SVP/W06 | -1558.33568042; Eh | ||||
22-Aug-2022 | /Gaussian TS3A | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization TS | RM06L | DEF2SVP DEF2SVP/W06 | -1559.51332558; Eh | ||||
22-Aug-2022 | /Gaussian TS3B | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization TS | RM06L | DEF2SVP DEF2SVP/W06 | -1404.58422086; Eh |
Results 1-10 of 12 (Search time: 0.001 seconds).