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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Mar-2022 | TS_DA | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | DEF2SVP | -1358.12022632; Eh | |||
 | 1-Jun-2022 | TS_H_I_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1715.93129547; Eh | |||
 | 1-Jun-2022 | TS_J_K_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1715.94948354; Eh | |||
 | 1-Jun-2022 | TS_D_E_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1716.01586433; Eh | |||
 | 1-Jun-2022 | TS_C_D_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1715.94481172; Eh | |||
 | 1-Jun-2022 | TS_J_K_acc_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1637.46862312; Eh | |||
 | 1-Jun-2022 | TS_D_E_acc_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1637.53226881; Eh | |||
 | 1-Jun-2022 | TS_C_J_acc_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1637.46439138; Eh | |||
 | 1-Jun-2022 | TS_I_G_don | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1676.65932847; Eh | |||
 | 1-Jun-2022 | TS_D_E | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization TS | - | DEF2SVP | -1598.19345100; Eh |
Results 1-10 of 39 (Search time: 0.001 seconds).