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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 fenilomepdph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -817.319863775; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes h2fecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | UB3LYP | 6-31+g*; sdd | -1045.24323401; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ph3ircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1247.0395606; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilomeauph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -825.141273131; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ph3auph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -821.8955353; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilomewco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -980.173423905; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-oticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1514.5319432; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilomeoso3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -662.277477110; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilomek | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -374.471189178; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilomeircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1250.29627579; Eh |
Results 4751-4760 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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