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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-copdph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -584.4558196; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-coZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2461.8296297; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-comno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -442.9083391; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-cntame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -309.5030166; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-cocunh33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -479.7974624; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes tiofenonipf33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2647.02046249; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-cnrhh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -584.9579151; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-cnptf5singlete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -711.5558193; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-cnpdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -907.6998906; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-cnrush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1783.1291351; Eh |
Results 11791-11800 of 12354 (Search time: 0.009 seconds).
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- 748 Reaction mechanisms
- 705 Density functional calculations
- 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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