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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 sime3crh2o5trip | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -878.238571904; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes sime3zrome3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -801.920356526; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes tiofenoaucl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2069.42319425; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes tiofenogacl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1935.84051267; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes smeyh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -858.243990493; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes smehgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -614.692492439; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes oZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2423.55264602; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes sime3niph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -923.399114049; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes sime3hgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -585.857399282; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes sime3zncl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2017.21940429; Eh |
Results 5371-5380 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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