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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-sih3-rhh2o5_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -783.4533211; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-shhgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -575.3758619; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ohgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -251.6413132; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nhchgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -402.6791036; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nchaucl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1609.8272354; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-iaucl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1527.9918302; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-hincl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -922.9770654; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-iincl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -933.8548321; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-hhgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -177.1406033; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-heZrCl5_newfix3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2351.4116654; Eh |
Results 11571-11580 of 12354 (Search time: 0.008 seconds).
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- 748 Reaction mechanisms
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- 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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