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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-May-2019 | H2O_m06sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RM06 | - | -76.375859; Eh | |||
 | 2-May-2019 | INT1noa_m06sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | - | - | |||
 | 2-May-2019 | catalyst_H2O_m06sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RM062X | - | -2024.4089164; Eh | |||
 | 2-May-2019 | cat5_TS4synsiA_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2715.9030306; Eh | |||
 | 2-May-2019 | cat10_TS4synsi_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -1861.5204005; Eh | |||
 | 2-May-2019 | INT7 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB3LYP | - | -2680.40031510; Eh | |||
 | 2-May-2019 | cat5_TS4antireB_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2715.9072865; Eh | |||
 | 2-May-2019 | INT3noa_m06sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RM062X | - | -2756.0277387; Eh | |||
 | 2-May-2019 | TS4antireA_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2679.0118944; Eh | |||
 | 2-May-2019 | INT10_m06sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RM062X | - | -3176.7634103; Eh |
Results 11-20 of 61 (Search time: 0.001 seconds).