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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Feb-2017 | /Ih-C60 Sr@Ih-C60Cl | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -19.34671925; Eh | ||||
1-Feb-2017 | /Ih-C60 Ca@Ih-C60Cl | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -19.34579728; Eh | ||||
1-Feb-2017 | /C2v(1809)-C60 C2v(1809)-C60H | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -19.26650767; Eh | ||||
1-Feb-2017 | /Ih-C60 Ih-C60H2 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -19.46342343; Eh | ||||
1-Feb-2017 | /Ih-C60 Ih-C60F | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -19.30153198; 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 |
Results 21-30 of 39 (Search time: 0.0 seconds).