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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 9-Nov-2018 | /vacuum/complexes xezrome3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -407.950798097; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes xeznnh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -298.543139661; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-h2optf5singlete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -695.1473489; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-h2otame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -292.8354878; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-hircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -904.6908023; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-hfecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1044.9645315; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-hpdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -815.4245027; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-h2oznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -343.2372531; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-h2alcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g* | -1624.4010871; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-hcro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -313.3905144; Eh |
Results 11751-11760 of 12354 (Search time: 0.01 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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