Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 8-Nov-2018 | /water/complexes aq-ohticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1515.0275539; Eh | ||||
| 8-Nov-2018 | /water/complexes aq-ooso3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -391.6110594; Eh | ||||
| 8-Nov-2018 | /water/complexes aq-omosh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1340.1123197; Eh | ||||
| 8-Nov-2018 | /water/complexes aq-onbnh24 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -356.3357237; Eh | ||||
| 8-Nov-2018 | /water/complexes aq-oniph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -589.5219875; Eh | ||||
| 8-Nov-2018 | /water/complexes aq-omno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -405.3705304; Eh | ||||
| 8-Nov-2018 | /water/complexes aq-oircoph32_nhc | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -979.434713; Eh | ||||
| 8-Nov-2018 | /water/complexes aq-ohZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2424.6047638; Eh | ||||
| 8-Nov-2018 | /water/complexes aq-ohznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -342.9326477; Eh | ||||
| 8-Nov-2018 | /water/complexes aq-ok | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -103.6388283; Eh |
Results 2531-2540 of 12842 (Search time: 0.005 seconds).
Discover
Subject
- 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
- next >
Calculation type