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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 hcucn | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -290.883524957; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes h2nipf33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2095.16802369; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes bpinincl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1176.41191247; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes bpinhgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -430.573891591; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes h2cuch3_2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -238.434963919; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes h2oaucl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1592.83340716; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes h2ocucn | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -366.657963855; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fznnh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -383.333599539; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilyh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -651.754292758; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilgacl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1614.59966695; Eh |
Results 6151-6160 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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