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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Jun-2022 | TS_C_D_don | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | - | DEF2SVP | -1676.61459628; Eh | ||||
1-Jun-2022 | TS_G_M | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -462.475101217; Eh | ||||
1-Jun-2022 | TS_C_J_acc | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1598.13102305; Eh | ||||
1-Jun-2022 | TS_U_3 | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | - | DEF2SVP | -1176.06043407; Eh |
Results 31-34 of 34 (Search time: 0.001 seconds).