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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-nchZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2441.9353518; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nchnbnh24 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -374.1580919; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes bpinmosh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1518.66415837; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-iwco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -645.4688702; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-hznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -267.6428553; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes bpinmno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -583.979479121; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes bpinfecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1298.39465732; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nchwco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -727.3443837; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes bpincunh33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -620.898449727; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nchalcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g* | -1716.6863872; Eh |
Results 11731-11740 of 12354 (Search time: 0.01 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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