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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
3-Oct-2019 | PRODUCT_56d_TRIPLET | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point TS | UB3LYP | - | -2785.25268520; Eh | ||||
3-Oct-2019 | PRODUCT_55_TRIPLET | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point TS | UB3LYP | - | -2785.28609242; Eh | ||||
3-Oct-2019 | PRODUCT_56d_SOS | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point TS | UB3LYP | - | -2785.26534028; Eh |
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- 3 Gaussian