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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 h2feco4axial | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -578.479322285; Eh | ||||
9-Nov-2018 | /vacuum/complexes fenilfeco4axial | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -809.042812613; Eh | ||||
9-Nov-2018 | /vacuum/complexes fenilZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -2580.12568603; Eh | ||||
9-Nov-2018 | /vacuum/complexes h2cro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -313.843500027; Eh | ||||
9-Nov-2018 | /vacuum/complexes h2mno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -330.724470057; Eh | ||||
9-Nov-2018 | /vacuum/complexes fznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -366.948640611; Eh | ||||
9-Nov-2018 | /vacuum/complexes fenilpdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1046.49687746; Eh | ||||
9-Nov-2018 | /vacuum/complexes coZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -2461.84261730; Eh | ||||
9-Nov-2018 | /vacuum/complexes fauph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -578.814298203; Eh | ||||
9-Nov-2018 | /vacuum/complexes cnrhh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -584.974557886; Eh |
Results 611-620 of 683 (Search time: 0.002 seconds).