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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Feb-2017 | /C2v(11188)-C72 C2v(11188)-C72H4 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -23.70263198; Eh | |||
| 1-Feb-2017 | /D5h(271)-C50 D5h(271)-C50H | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -15.94752039; Eh | |||
| 1-Feb-2017 | /D5h(271)-C50 Ca@D5h(271)-C50Cl | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -16.00023850; Eh | |||
| 1-Feb-2017 | /D5h(271)-C50 Sr@D5h(271)-C50Cl | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -15.98939047; Eh | |||
| 1-Feb-2017 | /D5h(271)-C50 Sr@D5h(271)-C50F10 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -17.49763714; Eh | |||
| 1-Feb-2017 | /D5h(271)-C50 Ca@D5h(271)-C50H10 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -17.47004199; Eh | |||
| 1-Feb-2017 | /D5h(271)-C50 D5h(271)-C50Cl10 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -16.77493385; Eh | |||
| 1-Feb-2017 | /D5h(271)-C50 D5h(271)-C50F2 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -16.12074141; Eh | |||
| 1-Feb-2017 | /D5h-C70 D5h-C70F | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -22.59599638; Eh | |||
| 1-Feb-2017 | /C2v(1809)-C60 Sr@C2v(1809)-C60F4 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -19.84305908; Eh |
Results 21-30 of 56 (Search time: 0.001 seconds).