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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
24-Jan-2019 | HI | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -11.9943817; Eh | ||||
24-Jan-2019 | /Reductive_Elimination TS-6-Ni(II) | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -2083.5844991; Eh | ||||
24-Jan-2019 | /Reductive_Elimination 6 | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -2083.692716; Eh | ||||
24-Jan-2019 | /Migratory_Insertion 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 4(endo) | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -2095.7364454; Eh | ||||
24-Jan-2019 | /Migratory_Insertion TS-3-4(endo) | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -2095.689591; Eh | ||||
24-Jan-2019 | /Migratory_Insertion TS-3-4x(exo) | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -2095.692944; Eh | ||||
24-Jan-2019 | /Oxidative_addition-Halide_abstraction 1 | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -1644.4308787; Eh | ||||
24-Jan-2019 | /Oxidative_addition-Halide_abstraction 1x(prima) | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -1329.7732566; Eh | ||||
24-Jan-2019 | /Migratory_Insertion 4x(exo) | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -2095.7385754; Eh |
Results 21-30 of 39 (Search time: 0.002 seconds).