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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_U_2 | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | - | DEF2SVP | -1176.05930412; 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_C_J_don | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1676.62749787; Eh | |||
 | 1-Jun-2022 | TS_H_I_acc | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | - | DEF2SVP | -1598.10629619; Eh | |||
 | 1-Jun-2022 | TS_U_1 | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization TS | - | DEF2SVP | -1176.04542115; Eh | |||
 | 16-Jan-2024 | TS-3 | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVP | -4391.05714213; Eh | |||
 | 16-Jan-2024 | TS-4 | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVP | -4391.06038698; Eh | |||
 | 16-Jan-2024 | TS-1 | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVP | -4391.04497809; Eh | |||
 | 16-Jan-2024 | TS-2 | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVP | -4391.04724772; Eh |
Results 31-39 of 39 (Search time: 0.001 seconds).