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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt BNH6Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---625.72916085; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt ts_4b_hLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---578.82475185; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt 7B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---572.23909621; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt BulkLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---59.97436973; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/freq 7B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---632.05797974; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt 2x2Li, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---527.05352275; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt H_hollowLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---530.85525860; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt 3B4Li, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---639.95841033; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/freq H_hollowLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---529.97894877; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/freq 3B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---638.73632840; eV
Results 31-40 of 68 (Search time: 0.001 seconds).