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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 9-Nov-2018 | /noDisp/complexes sin-ohircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -979.9283406; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilno2rush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2126.45580307; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nhcauph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -704.9923484; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ohconh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -504.0177465; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilno2rhh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -928.327915485; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ohpdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -890.6619598; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ohticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1515.0103896; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-oalcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g* | -1698.4880726; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-omno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -405.2820162; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nhctame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -442.6555982; Eh |
Results 11101-11110 of 12354 (Search time: 0.009 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