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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 24-Jan-2019 | /Oxidative_addition-Halide_abstraction TS1-2 | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311++G** | -2095.6499501; Eh | ||||
| 24-Jan-2019 | /Oxidative_addition-Halide_abstraction 2 | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311++G** | -1655.9144966; Eh | ||||
| 24-Jan-2019 | /Oxidative_addition-Halide_abstraction TS1-3Ox_Add_ | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -2095.6331232; Eh | ||||
| 24-Jan-2019 | /Oxidative_addition-Halide_abstraction 11 | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -1781.1100789; Eh | ||||
| 24-Jan-2019 | /Oxidative_addition-Halide_abstraction 3 | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -1781.1179749; Eh | ||||
| 24-Jan-2019 | /Migratory_Insertion TS-3-4x(endo) | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -2095.6935927; Eh | ||||
| 24-Jan-2019 | /Oxidative_addition-Halide_abstraction 10 | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311++G** | -1341.3020064; Eh | ||||
| 24-Jan-2019 | /Migratory_Insertion TS-3-4(exo) | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -2095.7026806; Eh | ||||
| 24-Jan-2019 | /Migratory_Insertion 4x(endo) | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -2095.7316703; Eh | ||||
| 24-Jan-2019 | /Migratory_Insertion 4(exo) | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -2095.7334151; Eh |
Results 11-20 of 51 (Search time: 0.002 seconds).