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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-nhcmno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -555.9192326; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nhcwco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -860.1361282; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nhcalcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g* | -1849.4917522; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-oauph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -554.1531534; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nh3k | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -84.7380753; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ncsptf5singlete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1109.7699876; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ncspdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1305.9124413; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilclrhh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1183.42695126; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ncspdph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -962.2521197; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nh3cro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -369.2910979; Eh |
Results 11131-11140 of 12354 (Search time: 0.009 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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