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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Oct-2019 | system_B_TS-1c | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3753.9729202; Eh | |||
 | 1-Oct-2019 | system_B_I | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3754.0090777; Eh | |||
 | 1-Oct-2019 | system_P_TS-5a | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3904.4113531; Eh | |||
 | 1-Oct-2019 | system_P_S-oxo | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3754.0016016; Eh | |||
 | 23-Jun-2020 | TS1B | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | GEN | -3393.1629748; Eh | |||
 | 23-Jun-2020 | 1B | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | GEN | -3393.1867338; Eh | |||
 | 23-Jun-2020 | 2B | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | GEN | -3393.2626408; Eh | |||
 | 23-Jun-2020 | TS5 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | GEN | -992.5904823; Eh | |||
 | 23-Jun-2020 | 5 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | GEN | -992.6287522; Eh | |||
 | 23-Jun-2020 | 6 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | GEN | -992.6313176; Eh |
Results 111-120 of 268 (Search time: 0.001 seconds).