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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
5-Dec-2023 | exoE_03-Ru1_TS | Cooksy, Andrew | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
5-Dec-2023 | exoE_04b-05_TS | Cooksy, Andrew | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
5-Dec-2023 | exoE_Ru1b | Cooksy, Andrew | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
5-Dec-2023 | exoE_Ru1 | Cooksy, Andrew | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
5-Dec-2023 | exoE_04b | Cooksy, Andrew | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
5-Dec-2023 | exoE_04 | Cooksy, Andrew | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
5-Dec-2023 | endoE_04-04b_TS | Cooksy, Andrew | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
5-Dec-2023 | endoE_Ru1-04_TS | Cooksy, Andrew | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
5-Dec-2023 | endoE_04b-05_TS | Cooksy, Andrew | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
5-Dec-2023 | endoE_03-Ru1_TS | Cooksy, Andrew | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - |
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