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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-h2omosh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1340.8259747; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ffecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1144.2831925; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-fenilpdph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -702.7812962; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-h2ocro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -389.1286242; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-fenilk | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -259.9357261; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-fznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -366.9453468; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes xegacl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1398.35325374; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes xefecl3bai | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | UB3LYP | 6-31+g*; sdd | -1520.19216072; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-fenilircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1135.7437193; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-fenilpdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1046.4776096; Eh |
Results 4391-4400 of 12842 (Search time: 0.005 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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