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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 9-Nov-2018 | /noDisp/complexes sin-cnconh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -521.0134392; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes sih3-zncl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1899.24096347; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ch3-alcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g* | -1663.2588949; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-clticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1899.3877113; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes sih3-znnh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -574.791837642; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-cnk | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -121.1812723; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-clk | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -488.5931017; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-clrhh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -952.3487453; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-clfeco4axial | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1037.6267194; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-clconh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -888.4117526; Eh |
Results 4441-4450 of 12842 (Search time: 0.004 seconds).
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- 748 Reaction mechanisms
- 705 Density functional calculations
- 684 Homogeneous catalysis
- 529 Copper
- 372 Cross-coupling
- 327 Photocatalysis
- 322 Halides
- 322 Nickel
- 310 C-H activation
- 294 Imine Condensation
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