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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 fenilclconh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1119.47642289; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilcltame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -907.920083517; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes cchcunh33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -443.621595313; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes cchpdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -891.594757575; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes chch2znch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -345.049713969; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilcloso3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1007.31942519; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes chch2mno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -407.946047864; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes chch2ptf5singlete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -696.682258448; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes chch2cunh33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -444.864004749; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilclfecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | UB3LYP | 6-31+g*; sdd | -1735.64725585; Eh |
Results 11151-11160 of 12354 (Search time: 0.008 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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