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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Apr-2017/NiCo2P2/freq H2Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---593.30511964; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/freq BNH6Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---624.35009694; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt OHLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---598.83853187; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/freq ts_h2o_1Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---599.49138939; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/freq ts_h2o_2Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---546.58970530; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/freq ts_7b6bLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---631.96642237; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt H2Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---594.60391655; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/freq H_topLi, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexFrequencies---529.36694290; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt H2OLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---601.89560068; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/freq 4B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---639.21144476; eV
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