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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-May-2019 | cat5_TS4synsiA_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2715.9030306; Eh | |||
 | 2-May-2019 | cat5_TS4synsiA | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2715.71556638; Eh | |||
 | 2-May-2019 | TS4synsiA | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point TS | RB97D | - | -2678.81640798; Eh | |||
 | 3-Oct-2019 | dmf_dosmet240b | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+G(D,P) SDD GEN | -3661.5065429; Eh | |||
 | 2-May-2019 | cat7_TS4antire | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2370.60681964; Eh | |||
 | 2-May-2019 | cat7_TS4antire_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2370.7709949; Eh | |||
 | 2-May-2019 | TS4antireA_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2679.0118944; Eh | |||
 | 2-May-2019 | TS4synsiB | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2678.81326931; Eh | |||
 | 2-May-2019 | TS4synsiB_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2679.0013917; Eh | |||
 | 2-May-2019 | TS4antireB | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2678.82527534; Eh |
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- 294 Imine Condensation
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