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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
23-Jun-2020 | TS5_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RB3LYP | GEN | -916.0999699; Eh | ||||
23-Jun-2020 | 5_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RB3LYP | GEN | -916.1416881; Eh | ||||
24-Jun-2020 | t-Enol-1 | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVP | -1169.6772056; Eh |
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