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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 hecucn | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -293.099913289; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes ocro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -387.933165282; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes piridinanipf33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2342.32151886; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes piridinafecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1753.12101109; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes ph3cuch3_2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -580.426429807; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes scnfecl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1995.85290586; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes scnaucl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2007.59888975; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes ph3zncl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1951.15229020; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes scngacl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1874.00893425; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes optph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -537.663186082; Eh |
Results 6021-6030 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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