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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-cnircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -996.9636533; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-clircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1364.3456853; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-cltame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -676.9165006; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ch3-rush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1730.1550062; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes sih3-yh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -711.365888504; 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 | /vacuum/complexes sih3-snme3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -414.427608353; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-cnalcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g* | -1716.217615; 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-clfeco4axial | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1037.6267194; Eh |
Results 11841-11850 of 12354 (Search time: 0.009 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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