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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-May-2019 | TS2_m06sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RM062X | - | -3176.7293936; Eh | |||
 | 2-May-2019 | TS4synsiA | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point TS | RB97D | - | -2678.81640798; Eh | |||
 | 2-May-2019 | TS2 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB3LYP | - | -3177.65709854; Eh | |||
 | 2-May-2019 | H2O | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RB3LYP | - | -76.4089533236; Eh | |||
 | 2-May-2019 | cat8_TS4synsiB_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -1935.5465045; Eh | |||
 | 2-May-2019 | cat9_TS4antireA | Besora, Maria | Gaussian; 09; AM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2601.48692006; Eh | |||
 | 2-May-2019 | cat8_TS4synsiB | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -1935.38164648; Eh | |||
 | 2-May-2019 | cat4_TS4synsiA | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2766.58375490; Eh | |||
 | 2-May-2019 | TS3noa_m06sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RM062X | - | -2679.5831148; Eh | |||
 | 2-May-2019 | INT1_m06sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RM062X | - | -3176.7435794; Eh |
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