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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-bpinZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2602.4331554; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ffecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1604.6289378; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-h2fecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1505.9768256; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-cnfecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1597.6115115; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-bpinwco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -887.9843579; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-h2k | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -29.3114046; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-fenilniph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -745.7646941; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ch3-fecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1544.6166282; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-cnniph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -607.0080161; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-fniph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -614.0118941; Eh |
Results 10941-10950 of 12354 (Search time: 0.008 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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