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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Apr-2017/Ni3P2/freq OHLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---537.23146038; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt 2x2Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---587.33697528; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt ts_7b6bLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---572.22073839; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt H2Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---534.00808979; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/freq ts_4b_hLi, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexFrequencies---577.83794743; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt ts_3b4bLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---578.03189124; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/freq 6B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---632.19830005; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt 6B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---633.55774431; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt ts_4b_hLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---640.07767092; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/freq 3B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---578.30288960; eV
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