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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Apr-2024 | /figure_1 1TS1E | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) 6-31+G(D,P) GEN | -1618.19878585; Eh | |||
 | 7-May-2024 | c5ab-ened2 | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | SDD 6-31G(D,P) GEN | -1391.14546030; Eh | |||
 | 7-May-2024 | c5ab-enec | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1391.14780727; Eh | |||
 | 7-May-2024 | c5ab-enea | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1391.14251439; Eh | |||
| 14-Jun-2024 | /wB97XD_def2TZVP TS3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2TZVP | -348.019855233; Eh | |||
| 14-Jun-2024 | /def2SVP/wB97XD TS3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -347.655693169; Eh | |||
| 14-Jun-2024 | /wB97XD_def2TZVP TS4 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2TZVP | -348.016053457; Eh | |||
| 14-Jun-2024 | /631Gd/wB97XD TS4 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | 6-31G(D) | -347.902552223; Eh | |||
| 14-Jun-2024 | /631Gd/wB97XD TS2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | 6-31G(D) | -347.907797202; Eh | |||
| 14-Jun-2024 | /631Gd/wB97XD TS3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | 6-31G(D) | -347.907728733; Eh |
Results 161-170 of 176 (Search time: 0.001 seconds).