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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 9-Nov-2018 | /noDisp/complexes sin-opdph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -546.1756433; 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 h2salcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g* | -2022.64297411; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-opdhph32_nhc | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -890.0159937; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilomecunh33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -713.063304583; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes scnptf5singlete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1109.76932905; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilometicl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1785.32913300; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes scnconh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -919.258314061; Eh |
Results 11081-11090 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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