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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | 1_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.6070859; Eh | ||
 | TSr | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.5927499; Eh | ||
 | 1 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.610892; Eh | ||
 | TS1 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.5806141; Eh | ||
 | 2 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.6171856; Eh | ||
 | TS2 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.5924074; Eh | ||
 | 3 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.6776097; Eh | ||
 | TS3 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.6214609; Eh | ||
 | 4 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.6859534; Eh | ||
 | TS2_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.6338414; Eh | ||
 | 3_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.6415607; Eh | ||
 | 4_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.7025235; Eh | ||
 | TS4_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.6446844; Eh | ||
 | 1B | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.1867338; Eh | ||
 | TS1B | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.1629748; Eh | ||
 | 2B | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.2626408; Eh | ||
 | 5 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -992.6287522; Eh | ||
 | TS5 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -992.5904823; Eh | ||
 | 6 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -992.6313176; Eh |
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