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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 fenilfecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1736.38921904; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fcuch3_2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -337.209940065; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilhgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -408.211573982; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilaucn | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -460.399923495; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilagnhc | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -604.890415817; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fcucn | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -390.197043130; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes bpincrh2o5trip | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -722.988051012; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes clcrh2o5triplete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -929.238130449; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes cnyh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -512.933326412; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes coniph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -627.451139314; Eh |
Results 6691-6700 of 12842 (Search time: 0.007 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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