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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Sep-2020 | CM_02 | Lledó, Agustí | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | 6-31G(D) | - | |||
| 2-Sep-2020 | CM_01 | Lledó, Agustí | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | 6-31G(D) | - | |||
 | 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 | |||
 | 28-Jul-2022 | min_SS | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -4199.99747376; Eh | |||
 | 23-Jun-2020 | 1_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | GEN | -3393.6070859; Eh | |||
 | 23-Jun-2020 | TSr | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | GEN | -3393.5927499; Eh | |||
 | 23-Jun-2020 | 1 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | GEN | -3393.610892; Eh | |||
 | 23-Jun-2020 | TS1 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | GEN | -3393.5806141; Eh |
Results 181-190 of 437 (Search time: 0.0 seconds).