Browsing by Author Moreno Vicente, Antonio
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-Dec-2017 | C72Cl3 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -23.35778389; Eh | |||
 | 11-Dec-2017 | C72Cl4 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -23.45098724; Eh | |||
 | 1-Feb-2017 | /Cs(10528)-C72 Sc2C@Cs(10528)-C72F8 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -24.91141863; Eh | |||
| 1-Feb-2017 | /Cs(10528)-C72 Sc2O@Cs(10528)-C72H8 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -24.99810748; Eh | |||
| 1-Feb-2017 | /Cs(39663)-C82 Y3N@Cs(39663)-C82F2 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -27.67180303; Eh | |||
| 1-Feb-2017 | /Cs(51365)-C84 Y3N@Cs(51365)-C84F2 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -28.32997267; Eh | |||
| 1-Feb-2017 | /D3(6140)-C68 Sc3N@D3(6140)-C68Cl12 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -23.68806614; Eh | |||
| 1-Feb-2017 | /D5h(271)-C50 Ca@D5h(271)-C50Cl | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -16.00023850; Eh | |||
| 2-Feb-2017 | /D5h(271)-C50 Ca@D5h(271)-C50Cl16 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -17.29441158; Eh | |||
| 1-Feb-2017 | /D5h(271)-C50 Ca@D5h(271)-C50H10 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -17.47004199; Eh | |||
| 2-Feb-2017 | /D5h(271)-C50 Ca@D5h(271)-C50H12 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -17.75627594; Eh | |||
| 2-Feb-2017 | /D5h(271)-C50 Ca@D5h(271)-C50H20 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -18.87727398; Eh | |||
| 1-Feb-2017 | /D5h(271)-C50 D5h(271)-C50Cl10 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -16.77493385; Eh | |||
| 2-Feb-2017 | /D5h(271)-C50 D5h(271)-C50Cl20 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -17.47551690; Eh | |||
| 2-Feb-2017 | /D5h(271)-C50 D5h(271)-C50F16 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -18.21033355; Eh | |||
| 1-Feb-2017 | /D5h(271)-C50 D5h(271)-C50F2 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -16.12074141; Eh | |||
| 2-Feb-2017 | /D5h(271)-C50 D5h(271)-C50F4 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -16.39216727; Eh | |||
| 1-Feb-2017 | /D5h(271)-C50 D5h(271)-C50H | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -15.94752039; Eh | |||
| 2-Feb-2017 | /D5h(271)-C50 D5h(271)-C50H12 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -17.75627594; Eh | |||
| 1-Feb-2017 | /D5h(271)-C50 Sr@D5h(271)-C50Cl | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -15.98939047; Eh |