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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-sniph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -912.2316929; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ph3ptf5singlete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -961.8775769; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ph3tame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -559.5433558; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ph3rhh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -834.7606163; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ph3ZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2691.6523462; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ph3rush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2033.3382374; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ph3wco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -977.0624651; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ph3ticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1782.0026784; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ph3pdph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -814.2689863; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ph3znch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -609.9591407; Eh |
Results 11621-11630 of 12354 (Search time: 0.009 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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