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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 | 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-cmdb-ts | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1545.10745533; Eh | ||||
7-May-2024 | c5ab-co3b | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1742.74200207; Eh | ||||
7-May-2024 | c5ab-co3a | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1742.74200211; Eh | ||||
7-May-2024 | c3ab-co3b | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1742.73557633; Eh | ||||
7-May-2024 | c5ab-co3c | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1742.73806225; Eh | ||||
7-May-2024 | c3ab-co3a | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1742.73556608; 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 |
Results 121-130 of 163 (Search time: 0.002 seconds).