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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-sime3alcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g* | -2032.6097179; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes h2spdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1214.03902694; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-shincl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1321.2118602; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes h2spdph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -870.504849225; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-pf3zncl3_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2248.9943616; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-pcl3fecl3-bai_new2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -3226.7980836; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-piridinahgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -424.7683489; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nh3aucl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1572.9921951; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-scnincl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1413.4374883; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ohincl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -998.2368651; Eh |
Results 5701-5710 of 12842 (Search time: 0.005 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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