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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 8-Nov-2018 | /water/complexes aq-hk | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -28.9278437; Eh | ||||
| 8-Nov-2018 | /water/complexes aq-hfeco4axial | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -578.0555203; Eh | ||||
| 8-Nov-2018 | /water/complexes aq-hfecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1044.9997484; Eh | ||||
| 8-Nov-2018 | /water/complexes aq-henbnh24 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -283.7116901; Eh | ||||
| 8-Nov-2018 | /water/complexes aq-hemosh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1267.3815668; Eh | ||||
| 8-Nov-2018 | /water/complexes aq-heniph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -516.9751948; Eh | ||||
| 8-Nov-2018 | /water/complexes aq-hemno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -332.5588985; Eh | ||||
| 8-Nov-2018 | /water/complexes aq-heoso3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -318.6988078; Eh | ||||
| 8-Nov-2018 | /water/complexes aq-hfecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1505.5866356; Eh | ||||
| 8-Nov-2018 | /water/complexes aq-hmno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -330.5425483; Eh |
Results 3281-3290 of 12842 (Search time: 0.005 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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