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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 cchircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -980.866595280; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes chch2pdph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -549.118621747; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes chch2cro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -390.796506012; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes bpinpdph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -725.143353535; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes cchrush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1767.02217569; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes chch2alcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g* | -1701.34491299; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes cchoso3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -392.767054985; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes cchalcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g* | -1700.11036886; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nchtame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -309.8443703; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nchconh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -521.1239819; Eh |
Results 4351-4360 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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