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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
18-Sep-2019 | /F2F_20th-September-2019_ETH/Ureas/Solution TS_methylation_NH | Rellán, Marcos | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | 6-31G(D) | -1220.32009350; Eh | ||||
18-Sep-2019 | /F2F_20th-September-2019_ETH/Ureas/Solution TS_methylation_NH2 | Rellán, Marcos | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | 6-31G(D) | -1220.33429523; Eh |
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