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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Oct-2019 | TS2_56d_TRIPLET | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | UB3LYP | - | -2785.22810934; Eh | |||
 | 3-Oct-2019 | TS2_66_SOS | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | UB3LYP | - | -2785.21809268; Eh | |||
 | 3-Oct-2019 | PRODUCT_56d_TRIPLET | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point TS | UB3LYP | - | -2785.25268520; Eh | |||
 | 3-Oct-2019 | TS2_55_SOS | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | UB3LYP | - | -2785.24962224; Eh | |||
 | 3-Oct-2019 | TS1_66_SOS | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | UB3LYP | - | -2785.20774107; Eh | |||
 | 3-Oct-2019 | TS1_56d_SOS | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -2785.22389201; Eh | |||
 | 3-Oct-2019 | PRODUCT_55_TRIPLET | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point TS | UB3LYP | - | -2785.28609242; Eh | |||
 | 3-Oct-2019 | TS2_56f_TRIPLET | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | UB3LYP | - | -2785.24870535; Eh | |||
 | 3-Oct-2019 | TS1_55_SOS | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | UB3LYP | - | -2785.22892587; Eh | |||
 | 3-Oct-2019 | I2_66_TRIPLET | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UB3LYP | - | -2785.22065252; Eh |
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