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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-hfeco4axial | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -577.9805591; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-itame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -228.126914; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-iZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2359.9479202; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes bpinauph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -732.981043296; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes bpinalcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g* | -1877.34946190; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nchk | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -121.6047918; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-iconh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -439.6343287; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-hconh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -428.7789262; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-hrush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1690.8461892; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-hZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2349.0291317; Eh |
Results 11191-11200 of 12354 (Search time: 0.008 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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