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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Feb-2024 | ch3nc5h5-br-ts_6311+Gd | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | 6-311+G* GENECP | -301.432867727; Eh | |||
 | 26-Feb-2024 | ch3br-o-ts_6311+Gd | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | 6-311+G* GENECP | -128.513176512; Eh | |||
 | 26-Feb-2024 | ch3br-h-ts_6311+Gd | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | 6-311+G* GENECP | -53.7486570504; Eh | |||
 | 26-Feb-2024 | ts-br-ch3-rhcomplex | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | 6-311+G* SDD GENECP | -1266.84215751; Eh | |||
 | 26-Feb-2024 | ch3c6h4ome-br-ts_6311+Gd | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | 6-311+G* GENECP | -399.407916786; Eh | |||
 | 26-Feb-2024 | ts-br-ch3-pdmincomplex | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | 6-311+G* SDD GENECP | -1103.42264749; Eh | |||
 | 26-Feb-2024 | ch3h2o-br-ts_6311+Gd_aq | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | 6-311+G* GENECP | -129.523686302; Eh | |||
 | 26-Feb-2024 | ch3br-sime3-ts_6311+Gd | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | 6-311+G* GENECP | -462.472455713; Eh | |||
 | 26-Feb-2024 | ch3ph3-br-ts_6311+Gd_aq | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | 6-311+G* GENECP | -396.236651377; Eh | |||
 | 26-Feb-2024 | br-ch3-aupme3-ch3 | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | 6-311+G* SDD GENECP | -689.990949335; Eh |
Results 1-10 of 125 (Search time: 0.002 seconds).