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_B | Melgar, Dolores | ADF; 2012; 01 | Single point | DFT | - | - | ||||
13-Dec-2016 | fullcapsule_SO4 | Melgar, Dolores | ADF; 2012; 01 | Single point | DFT | - | - | ||||
13-Dec-2016 | negativemodel_HCO3 | Melgar, Dolores | ADF; 2012; 01 | Single point | DFT | - | - | ||||
15-Dec-2016 | Mo132_HCOO | Melgar, Dolores | ADF; 2012; 01 | Geometry optimization | DFT | TZP | - | ||||
13-Dec-2016 | fullcapsule_HCOO | Melgar, Dolores | ADF; 2012; 01 | Single point | DFT | - | - | ||||
13-Dec-2016 | fullcapsule_CO3 | Melgar, Dolores | ADF; 2012; 01 | Single point | DFT | - | - | ||||
13-Dec-2016 | positivemodel_CH3COO | Melgar, Dolores | ADF; 2012; 01 | Single point | DFT | - | - | ||||
13-Dec-2016 | positivemodel_A | Melgar, Dolores | ADF; 2012; 01 | Single point | DFT | - | - | ||||
13-Dec-2016 | fullcapsule_HSO4 | Melgar, Dolores | ADF; 2012; 01 | Single point | DFT | - | - | ||||
13-Dec-2016 | negativemodel_HCOO | Melgar, Dolores | ADF; 2012; 01 | Single point | DFT | - | - |
Results 1-10 of 82 (Search time: 0.001 seconds).
Discover
Subject