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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-May-2024 | c3ab-co3a-cp | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | SDD 6-31G(D,P) GEN | -1939.30911743; Eh | |||
 | 7-May-2024 | c5ab-co3a-cp | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | SDD 6-31G(D,P) GEN | -1939.31760728; Eh | |||
 | 7-May-2024 | c5ab-cmda-cp | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | SDD 6-31G(D,P) GEN | -1939.33684578; Eh | |||
 | 7-May-2024 | c3ab-cmdb-cp | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | SDD 6-31G(D,P) GEN | -1939.33492029; Eh | |||
 | 7-May-2024 | c5ab-sbf-cp-ts | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1885.92686536; Eh | |||
 | 7-May-2024 | c5ab-sbf | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1689.34991840; Eh | |||
 | 7-May-2024 | c3ab4 | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1084.72683855; Eh | |||
 | 7-May-2024 | c5ab3 | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1084.70737789; Eh | |||
 | 8-Apr-2024 | /figure_1 1TS2EnoTMPH | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) 6-31+G(D,P) GEN | -1735.61320720; Eh | |||
| 8-Apr-2024 | /figure_1 1TS2E | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) 6-31+G(D,P) GEN | -1618.20330872; Eh |
Results 151-160 of 176 (Search time: 0.002 seconds).