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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_P_y224a_S-oxo-rot | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3447.6027899; Eh | |||
 | 1-Oct-2019 | system_P_V-5c-radical | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3904.4171923; Eh | |||
 | 1-Oct-2019 | system_P_V-5a-radical | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3904.4289386; Eh | |||
 | 1-Oct-2019 | system_P_P | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3754.0308831; Eh | |||
 | 1-Oct-2019 | system_P_TS-1b | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3753.9862152; Eh | |||
 | 1-Oct-2019 | system_P_TS-4 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3904.4225257; Eh | |||
 | 1-Oct-2019 | system_P_S-O2 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3904.4114922; Eh | |||
 | 1-Oct-2019 | system_P_F-O2 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3904.4359805; Eh | |||
 | 1-Oct-2019 | system_B_S-oxo | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3753.9976285; Eh | |||
 | 1-Oct-2019 | system_P_I | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3754.0248789; Eh |
Results 91-100 of 268 (Search time: 0.0 seconds).