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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Sep-2018 | /U@(17418)C76 U@C76_triplet_opt | Roser, Morales | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -25.08741306; Eh | |||
| 8-May-2018 | /Sc3N@C80 Sc3N@C80_2 | Roser, Morales | ADF; 2017 | Geometry optimization | DFT | TZP | -62.44533274; Eh | |||
| 2-Feb-2017 | /D5h(271)-C50 Ca@D5h(271)-C50Cl16 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -17.29441158; Eh | |||
| 2-Feb-2017 | /C2v(1809)-C60 Ca@C2v(1809)-C60F4_(2) | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -19.82795034; Eh | |||
| 2-Feb-2017 | /C2v(1809)-C60 Ca@C2v(1809)-C60H2 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -19.52493920; Eh | |||
| 2-Feb-2017 | /C2v(1809)-C60 C2v(1809)-C60H2_(2) | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -19.42653029; Eh | |||
| 2-Feb-2017 | /C2v(4059)-C66 C2v(4059)-C66Cl10 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -21.91728344; Eh | |||
| 2-Feb-2017 | /D5h(271)-C50 D5h(271)-C50F4 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -16.39216727; 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 |
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