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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Apr-2017/NiCo2P2/freq 3B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---638.73632840; 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 ts_h2o_1Li, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---600.90421509; 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/freq H_hollowLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---590.05499587; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/freq h2o_2_isLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---608.19720371; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt ts_7b6bLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---633.32618490; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/freq H2OLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---600.53564113; eV
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/opt h2o_2_isLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---609.40482803; eV
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