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-coaucl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1629.7198629; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes h2scunh33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -765.907684834; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes h2scro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -712.092266601; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-scnfecl2sextup_bo | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1535.4486488; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-piridinacro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -561.0255865; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-shircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1302.9174676; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-shrhh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -890.941073; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-shtame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -615.4783449; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-shpdph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -869.9759371; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-shmno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -728.750547; Eh |
Results 11051-11060 of 12354 (Search time: 0.007 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