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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_H_don | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1676.62086461; Eh | |||
![]() | 1-Jun-2022 | TS_D_E | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization TS | - | DEF2SVP | -1598.19345100; Eh | |||
![]() | 1-Jun-2022 | TS_C_F_acc | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | - | DEF2SVP | -1598.13303101; Eh | |||
![]() | 1-Jun-2022 | TS_U_2 | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | - | DEF2SVP | -1176.05930412; Eh | |||
![]() | 1-Jun-2022 | TS_O_1 | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization TS | - | DEF2SVP | -1251.29917723; Eh |
Results 31-35 of 35 (Search time: 0.001 seconds).