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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 14-May-2019 | /1-2 CF-U2-quintet | Moreno Vicente, Antonio | ADF; 2017 | Geometry optimization | DFT | TZP | -43.34268583; Eh | |||
 | 14-May-2019 | /1-2 CF-U2-singlet | Moreno Vicente, Antonio | ADF; 2017 | Geometry optimization | DFT | TZP | -43.88568947; 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 | /C2(7892)-C70 Sc2S@C2(7892)-C70Cl4 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -23.38582430; Eh | |||
| 1-Feb-2017 | /C2v(4059)-C66 Sc2@C2v(4059)-C66H10 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -22.81547605; 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(10528)-C72 Sc2C@Cs(10528)-C72F8 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -24.91141863; 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 | /Cs(39663)-C82 Y3N@Cs(39663)-C82F2 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -27.67180303; Eh | |||
| 1-Feb-2017 | /Ih(7)-C80 Sc3N@Ih(7)-C80H6 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -27.47416130; Eh |
Results 11-20 of 56 (Search time: 0.0 seconds).