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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-shrush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2089.0745384; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-clincl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1382.633286; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-brhgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | sdd | -189.9951124; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-shpdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1213.6590946; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-shnbnh24 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -679.7385335; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ch3-aucl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1556.4519616; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-shZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2747.2863257; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-braucl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1529.9485042; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-shwco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1032.8028671; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-scnfecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1995.8404088; Eh |
Results 11611-11620 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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