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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
5-Dec-2023 | endoE_08-09_TS | Cooksy, Andrew | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
5-Dec-2023 | endoE_05-06_TS | Cooksy, Andrew | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
5-Dec-2023 | endoE_06 | Cooksy, Andrew | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
5-Dec-2023 | endoE_07 | Cooksy, Andrew | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
5-Dec-2023 | endoE_05 | Cooksy, Andrew | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
5-Dec-2023 | endoE_08 | Cooksy, Andrew | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
5-Dec-2023 | endoE_09 | Cooksy, Andrew | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
5-Dec-2023 | exoE_Ru1-Ru1b_TS | Cooksy, Andrew | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
5-Dec-2023 | exoE_Ru1b-04_TS | Cooksy, Andrew | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
5-Dec-2023 | exoE_04-04b_TS | Cooksy, Andrew | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - |
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