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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
22-Feb-2020 | X_sp_basisset | García, Cristina | Gaussian; 09 | Single point Structure | RB3LYP | GENECP | -3061.2219364; Eh | ||||
22-Feb-2020 | B_sp_basisset | García, Cristina | Gaussian; 09 | Single point Structure | RB3LYP | GENECP | -3102.0009228; Eh | ||||
22-Feb-2020 | 4_sp_basisset | García, Cristina | Gaussian; 09 | Single point Structure | RB3LYP | GENECP | -620.7222223; Eh | ||||
22-Feb-2020 | V_sp_basisset | García, Cristina | Gaussian; 09 | Single point Structure | RB3LYP | GENECP | -3022.8770152; Eh | ||||
22-Feb-2020 | A_sp_basisset | García, Cristina | Gaussian; 09 | Single point Structure | RB3LYP | GENECP | -3721.0549499; Eh | ||||
22-Feb-2020 | TSXII_XVI_sp_basisset | García, Cristina | Gaussian; 09 | Single point Structure | RB3LYP | GENECP | -3061.1782907; Eh | ||||
22-Feb-2020 | S1_eq_sp_basisset | García, Cristina | Gaussian; 09 | Single point Structure | RB3LYP | GENECP | -698.142423; Eh | ||||
22-Feb-2020 | TSIII_IV_sp_basisset | García, Cristina | Gaussian; 09 | Single point Structure | RB3LYP | GENECP | -3022.8519844; Eh | ||||
22-Feb-2020 | I_sp_basisset | García, Cristina | Gaussian; 09 | Single point Structure | RB3LYP | GENECP | -2713.3563686; Eh | ||||
22-Feb-2020 | III_sp_basisset | García, Cristina | Gaussian; 09 | Single point Structure | RB3LYP | GENECP | -3022.8813615; Eh |
Results 1-10 of 61 (Search time: 0.001 seconds).