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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
9-Nov-2018 | /vacuum/complexes hemno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -332.425995206; Eh | ||||
9-Nov-2018 | /vacuum/complexes hek | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -31.0589441082; Eh | ||||
9-Nov-2018 | /vacuum/complexes hecro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -315.558996738; Eh | ||||
9-Nov-2018 | /vacuum/complexes h2sznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -666.200598147; Eh | ||||
9-Nov-2018 | /vacuum/complexes h2swco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1033.30820331; Eh | ||||
9-Nov-2018 | /vacuum/complexes h2sticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1838.24789016; Eh | ||||
9-Nov-2018 | /vacuum/complexes h2sptf5singlete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1018.11688688; Eh | ||||
9-Nov-2018 | /vacuum/complexes h2spdph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -870.504849225; Eh | ||||
9-Nov-2018 | /vacuum/complexes h2soso3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -714.877852624; Eh | ||||
9-Nov-2018 | /vacuum/complexes h2smosh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1663.79400678; Eh |
Results 41-50 of 648 (Search time: 0.001 seconds).