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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-sconh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -826.710522; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-h2ofecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1581.237402; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-heauph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -481.581129; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-piridinaptf5singlete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -867.037376; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-piridinarhh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -739.9632551; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-piridinapdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1062.9589858; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-piridinarush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1938.4864462; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-piridinapdph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -719.4107031; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-piridinaticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1687.2009789; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-piridinaoso3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -563.8867881; Eh |
Results 4671-4680 of 12842 (Search time: 0.005 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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