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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 9-Nov-2018 | /noDisp/complexes sin-ohnbnh24 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -356.7832822; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ohrush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1766.0810302; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nh3oso3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -372.0699272; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilno2pdph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -907.329615116; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nh3znch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -323.3976722; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilno2fecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | UB3LYP | 6-31+g*; sdd | -1480.55960380; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nh3tame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -272.9890882; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilno2feco4axial | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1013.57403707; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nh3mosh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1320.9792143; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ncsZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2839.5777678; Eh |
Results 5811-5820 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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