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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-May-2019 | cat9_TS4antireA_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2601.6639433; Eh | |||
 | 2-May-2019 | cat9_TS4synsiB_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2601.6601937; Eh | |||
 | 2-May-2019 | cat4_TS4antireA_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2766.7750918; Eh | |||
 | 2-May-2019 | cat9_TS4synsiA_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2601.6595691; Eh | |||
 | 2-May-2019 | cat4_TS4antireB_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2766.7752881; Eh | |||
 | 2-May-2019 | cat5_TS4antireA_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2715.9075508; Eh | |||
 | 2-May-2019 | cat4_TS4synsiB_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2766.7700206; Eh | |||
 | 2-May-2019 | cat4_TS4synsiA_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2766.7696582; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-smeaucl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1954.7421914; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-sincl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1320.791849; Eh |
Results 41-50 of 3157 (Search time: 0.002 seconds).