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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | system_P_y224a_P | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | - | -3447.6294769; Eh | ||
 | system_P_y224a_S-oxo | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | - | -3447.6026177; Eh | ||
 | system_P_y224a_S-oxo-rot | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | - | -3447.6027899; Eh | ||
 | system_P_y224a_TS-1b | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | - | -3447.5897103; Eh | ||
 | system_P_y224a_TS-rot | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | - | -3447.5872284; Eh |
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