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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 fenilptf5singlete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -850.363297591; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes h2oconh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -504.134199019; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -2580.12568603; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fwco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -733.871363114; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -366.948640611; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilk | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -259.942832779; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fk | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -128.213816859; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1135.76746806; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilconh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -659.888991793; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilmosh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1496.31667147; Eh |
Results 6361-6370 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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