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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-h2mosh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1265.5386237; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-h2oso3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -316.5111131; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-bpintame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -470.6359103; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-bpinrush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1944.2638004; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-bpinticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1693.1192365; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-brniph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -527.5868936; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ch3-niph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -554.0107093; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-bpinptf5singlete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -872.6956424; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-h2feco4axial | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -578.4719592; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-h2ircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -905.0332311; Eh |
Results 5541-5550 of 12842 (Search time: 0.006 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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