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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
4-Oct-2021 | 8a_9a_TSS_CH3_ACN_ACN | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
4-Oct-2021 | 8a_9a_TSS_CH3_DCM_DCM | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
4-Oct-2021 | 8c_9c_TSS_CH3_ACN_ACN | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
4-Oct-2021 | 9b_CH3_ACN_ACN | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
4-Oct-2021 | 9c_CH3_ACN_ACN | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
4-Oct-2021 | 9b_CH3_gas | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
4-Oct-2021 | 9a_CH3_gas | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
4-Oct-2021 | 7b_iPrOH_none | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | Single point Structure | RB3LYP | GENECP | - | ||||
4-Oct-2021 | 7b_iPrOH_iPrOH | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | Single point Structure | RB3LYP | GENECP | - | ||||
4-Oct-2021 | 7a_iPrOH_iPrOH | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - |
Results 71-80 of 145 (Search time: 0.002 seconds).