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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Oct-2021 | 1a_DCM_none | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31G(D) | - | |||
 | 4-Oct-2021 | 9a_CH2_ACN_ACN | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | |||
 | 4-Oct-2021 | 1c_gas | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31G(D) | - | |||
 | 4-Oct-2021 | 9b_CH2_ACN | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | |||
 | 11-Oct-2022 | 18 | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -1902.69563064; Eh | |||
 | 4-Oct-2021 | 1a_gas | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31G(D) | - | |||
 | 4-Oct-2021 | 1b_gas | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31G(D) | - | |||
 | 4-Oct-2021 | 9a_CH2_iPrOH_iPrOH | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | |||
 | 4-Oct-2021 | 6b_7b_TSS_DCM_DCM | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | |||
 | 4-Oct-2021 | 6b_7b_TSS_ACN_ACN | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - |
Results 161-170 of 258 (Search time: 0.001 seconds).