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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Dec-2016 | positivemodel_CO3 | Melgar, Dolores | ADF; 2012; 01 | Single point | DFT | - | - | |||
 | 13-Dec-2016 | positivemodel_C | Melgar, Dolores | ADF; 2012; 01 | Single point | DFT | - | - | |||
 | 13-Dec-2016 | fullcapsule_SeO4 | Melgar, Dolores | ADF; 2012; 01 | Single point | DFT | - | - | |||
 | 13-Dec-2016 | positivemodel_HSO4 | Melgar, Dolores | ADF; 2012; 01 | Single point | DFT | - | - | |||
 | 15-Dec-2016 | W72Mo60_muO_muS | Melgar, Dolores | ADF; 2012; 01 | Geometry optimization | DFT | TZP | - | |||
 | 15-Dec-2016 | W72Mo60_muS2 | Melgar, Dolores | ADF; 2012; 01 | Geometry optimization | DFT | TZP | - | |||
 | 15-Dec-2016 | Mo132_SO4 | Melgar, Dolores | ADF; 2012; 01 | Geometry optimization | DFT | TZP | - | |||
 | 15-Dec-2016 | Mo132_HCO3 | Melgar, Dolores | ADF; 2012; 01 | Geometry optimization | DFT | TZP | - | |||
 | 15-Dec-2016 | Mo132_SO3 | Melgar, Dolores | ADF; 2012; 01 | Single point | DFT | TZP | - | |||
 | 27-Mar-2017 | pentagon_raman | Melgar, Dolores | ADF; 2010; 01 | Single point | DFT | TZP | -242.53892012; eV |
Results 51-60 of 80 (Search time: 0.002 seconds).
Discover
Subject