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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 fenilno2cuch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -673.509135862; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes chch2yh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -498.084730195; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilomezrome3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -738.838744880; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilclnipf33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2785.33376145; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes chch2nipf33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2172.06082722; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilno2snme3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -559.297932779; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilclfecl3-bai | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -2195.99609444; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilclzrome3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1083.90493107; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilno2aucn | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -664.930262320; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes h2sagnhc | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -772.450051977; Eh |
Results 6601-6610 of 12842 (Search time: 0.006 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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