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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Apr-2024 | /figureS2 12TS1E | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) 6-31+G(D,P) GEN | -1515.73525617; Eh | |||
 | 7-May-2024 | c5ab-cp-pre-ts | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1281.32207771; Eh | |||
 | 7-May-2024 | c3ab-cmdb-tscp | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1741.67263914; Eh | |||
 | 7-May-2024 | c5ab-cmda-tscp | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1741.68466456; Eh | |||
 | 7-May-2024 | c5ab-cmdb-tscp | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1741.69385538; Eh | |||
 | 7-May-2024 | c3ab-cmda-tscp | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1741.67891918; Eh | |||
 | 7-May-2024 | c5ab-cmdb | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | SDD 6-31G(D,P) GEN | -1742.75949140; Eh | |||
 | 7-May-2024 | c5ab-cmda | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1742.76709570; Eh | |||
 | 7-May-2024 | c3ab-cmdb | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1742.76504944; Eh | |||
 | 7-May-2024 | c3ab-cmda | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1742.75899189; Eh |
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- 176 Gaussian