Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Oct-2019 | system_P_y224a_TS-rot | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3447.5872284; Eh | |||
 | 1-Oct-2019 | system_with_ascorbate_TS-b | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3538.0002228; Eh | |||
 | 1-Oct-2019 | system_with_ascorbate_V-b_radical | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3538.0233184; Eh | |||
 | 1-Oct-2019 | system_with_ascorbate_V-c_radical | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3538.0068222; Eh | |||
 | 1-Oct-2019 | system_with_ascorbate_V-a_radical | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3538.02797; Eh | |||
 | 1-Oct-2019 | system_with_ascorbate_TS-c | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3537.9880703; Eh | |||
 | 1-Oct-2019 | system_with_ascorbate_TS-a | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3538.0119238; Eh | |||
 | 1-Oct-2019 | system_with_ascorbate_V-c | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3538.0519714; Eh | |||
 | 1-Oct-2019 | system_with_ascorbate_V-b | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3538.059158; Eh | |||
 | 1-Oct-2019 | system_with_ascorbate_V-a | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3538.0762533; Eh |
Results 1-10 of 51 (Search time: 0.0 seconds).