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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 pf3crh2o5trip | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1109.63540916; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes pme3gacl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1843.97518376; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes pf3fecl3bai | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -2145.64966730; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes pcl3fecl3bai | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -3226.66666206; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes pcl3snme3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1844.87916637; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes pme3snme3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -584.045363867; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes omezrome3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -507.838738269; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes pcl3fecl3-bai | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -3226.81948159; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes pf3incl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1563.06274197; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes omefecl3bai | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1619.93555932; Eh |
Results 11321-11330 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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