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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-cnauph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -571.8112471; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-clcro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -773.0541298; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ch3-rhh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -532.0565898; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ch3-conh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -468.0926495; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ch3-wco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -673.8741703; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes sih3-fecl3bai | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1796.07029021; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-clmosh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1724.8994091; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ch3-mno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -369.8674324; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-clznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -727.3140123; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes sih3-gacl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1674.23804382; Eh |
Results 5401-5410 of 12842 (Search time: 0.006 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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