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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 9-Nov-2018 | /vacuum/complexes icuch3_2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -248.826145234; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes ifecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | UB3LYP | 6-31+g*; sdd | -1516.24050002; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes iaucn | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -240.232326181; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes hznnh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -284.065810002; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes ihgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | sdd | -188.042222589; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes cchcrh2o5trip | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -545.731366633; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fzrome3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -492.580443984; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes h2zncl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1609.18337266; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes hsnme3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -123.717938683; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes cchaucn | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -305.501700569; Eh |
Results 6131-6140 of 12842 (Search time: 0.006 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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